bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline

C166H160N30O13 — CID 157435188

IUPACbis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4cc(-c5ccccc5)ncc4N)cnc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4cc(-c5ccccc5)ncc4[N+](=O)[O-])cnc3c2)CC1.Nc1cnc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.Nc1cnc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.O=C(Cc1cc(-c2ccccc2)ncc1[N+](=O)[O-])c1cnc2cc(N3CCNCC3)ccc2c1.c1ccc(-c2cc3c(cn2)N=C(c2cnc4cc(N5CCNCC5)ccc4c2)C3)cc1
InChIInChI=1S/C31H31N5O5.C31H33N5O3.C26H23N5O3.2C26H25N5O.C26H23N5/c1-31(2,3)41-30(38)35-13-11-34(12-14-35)25-10-9-22-15-24(19-32-27(22)18-25)29(37)17-23-16-26(21-7-5-4-6-8-21)33-20-28(23)36(39)40;1-31(2,3)39-30(38)36-13-11-35(12-14-36)25-10-9-22-15-24(19-33-28(22)18-25)29(37)17-23-16-27(34-20-26(23)32)21-7-5-4-6-8-21;32-26(14-20-13-23(18-4-2-1-3-5-18)29-17-25(20)31(33)34)21-12-19-6-7-22(15-24(19)28-16-21)30-10-8-27-9-11-30;2*27-23-17-30-24(18-4-2-1-3-5-18)13-20(23)14-26(32)21-12-19-6-7-22(15-25(19)29-16-21)31-10-8-28-9-11-31;1-2-4-18(5-3-1)23-13-20-14-25(30-26(20)17-29-23)21-12-19-6-7-22(15-24(19)28-16-21)31-10-8-27-9-11-31/h4-10,15-16,18-20H,11-14,17H2,1-3H3;4-10,15-16,18-20H,11-14,17,32H2,1-3H3;1-7,12-13,15-17,27H,8-11,14H2;2*1-7,12-13,15-17,28H,8-11,14,27H2;1-7,12-13,15-17,27H,8-11,14H2
InChIKeyBQZZOSSQRIABET-UHFFFAOYSA-N
MW2783.30 g/mol
LogP26.90
Rot. Bonds30

About bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline

bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline (PubChem CID 157435188) has the molecular formula C166H160N30O13 and a molecular weight of 2783.30 g/mol. Its IUPAC name is bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline.

Molecular Properties

Compound Namebis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline
PubChem CID157435188
Molecular FormulaC166H160N30O13
Molecular Weight2783.30 g/mol
Exact Mass2781.28
IUPAC Namebis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline
SMILESCC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4cc(-c5ccccc5)ncc4N)cnc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4cc(-c5ccccc5)ncc4[N+](=O)[O-])cnc3c2)CC1.Nc1cnc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.Nc1cnc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.O=C(Cc1cc(-c2ccccc2)ncc1[N+](=O)[O-])c1cnc2cc(N3CCNCC3)ccc2c1.c1ccc(-c2cc3c(cn2)N=C(c2cnc4cc(N5CCNCC5)ccc4c2)C3)cc1
InChIInChI=1S/C31H31N5O5.C31H33N5O3.C26H23N5O3.2C26H25N5O.C26H23N5/c1-31(2,3)41-30(38)35-13-11-34(12-14-35)25-10-9-22-15-24(19-32-27(22)18-25)29(37)17-23-16-26(21-7-5-4-6-8-21)33-20-28(23)36(39)40;1-31(2,3)39-30(38)36-13-11-35(12-14-36)25-10-9-22-15-24(19-33-28(22)18-25)29(37)17-23-16-27(34-20-26(23)32)21-7-5-4-6-8-21;32-26(14-20-13-23(18-4-2-1-3-5-18)29-17-25(20)31(33)34)21-12-19-6-7-22(15-24(19)28-16-21)30-10-8-27-9-11-30;2*27-23-17-30-24(18-4-2-1-3-5-18)13-20(23)14-26(32)21-12-19-6-7-22(15-25(19)29-16-21)31-10-8-28-9-11-31;1-2-4-18(5-3-1)23-13-20-14-25(30-26(20)17-29-23)21-12-19-6-7-22(15-24(19)28-16-21)31-10-8-27-9-11-31/h4-10,15-16,18-20H,11-14,17H2,1-3H3;4-10,15-16,18-20H,11-14,17,32H2,1-3H3;1-7,12-13,15-17,27H,8-11,14H2;2*1-7,12-13,15-17,28H,8-11,14,27H2;1-7,12-13,15-17,27H,8-11,14H2
InChIKeyBQZZOSSQRIABET-UHFFFAOYSA-N
XLogP26.90
TPSA543.37 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds30
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002783.30
LogP ≤ 526.90
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-nitropyridin-3-amine;5-bromopyridine-3-carboxylic acid;tert-butyl 4-[3-[2-(2-nitro-5-phenyl-3-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;ethyl N-(5-bromo-2-nitro-3-pyridinyl)carbamate;ethyl N-(5-bromo-3-pyridinyl)carbamate;2-nitro-5-phenylpyridin-3-amine;phosphoryl trichloride;7-piperidin-1-ylquinoline-3-carboxylic acid
CID 161288100
tert-butyl N-[2-[2-oxo-2-(7-piperazin-1-ylquinolin-3-yl)ethyl]-4-thiophen-2-ylphenyl]carbamate
CID 161218316
N-(5-methyl-3-nitro-6-phenyl-2-pyridinyl)-7-piperazin-1-ylquinoline-3-carboxamide
CID 126598645
tert-butyl 4-[3-amino-5-(2-quinolin-3-yl-4-pyridinyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate
CID 71123178
tert-butyl 4-(4-amino-3-fluorophenyl)piperazine-1-carboxylate;tert-butyl 4-(3-fluoro-4-nitrophenyl)piperazine-1-carboxylate;2,4-difluoro-1-nitrobenzene
CID 159928481
tert-butyl 4-(3-nitro-4-sulfanylphenyl)piperazine-1-carboxylate
CID 135198671
tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate
CID 159012840
2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinolin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(2-piperazin-1-ylquinoxalin-6-yl)ethanone;2-(2-amino-5-fluorophenyl)-1-(6-piperazin-1-ylquinoxalin-2-yl)ethanone
CID 159109918
tert-butyl 4-(4-fluoro-2-nitrophenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1,4-difluoro-2-nitrobenzene
CID 162059221
tert-butyl 4-[4-[2-(2-aminophenyl)acetyl]-3-cyclopropylphenyl]piperazine-1-carboxylate
CID 157380575
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 36995546
4-[[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]anilino]methyl]-3-nitrobenzoic acid
CID 174372630

Frequently Asked Questions

What is the IUPAC name of bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline?
The IUPAC name of bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline (CID 157435188) is bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline.
What is the SMILES notation for bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline?
The canonical SMILES for bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline is CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4cc(-c5ccccc5)ncc4N)cnc3c2)CC1.CC(C)(C)OC(=O)N1CCN(c2ccc3cc(C(=O)Cc4cc(-c5ccccc5)ncc4[N+](=O)[O-])cnc3c2)CC1.Nc1cnc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.Nc1cnc(-c2ccccc2)cc1CC(=O)c1cnc2cc(N3CCNCC3)ccc2c1.O=C(Cc1cc(-c2ccccc2)ncc1[N+](=O)[O-])c1cnc2cc(N3CCNCC3)ccc2c1.c1ccc(-c2cc3c(cn2)N=C(c2cnc4cc(N5CCNCC5)ccc4c2)C3)cc1.
What is the InChIKey of bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline?
The InChIKey is BQZZOSSQRIABET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O5.C31H33N5O3.C26H23N5O3.2C26H25N5O.C26H23N5/c1-31(2,3)41-30(38)35-13-11-34(12-14-35)25-10-9-22-15-24(19-32-27(22)18-25)29(37)17-23-16-26(21-7-5-4-6-8-21)33-20-28(23)36(39)40;1-31(2,3)39-30(38)36-13-11-35(12-14-36)25-10-9-22-15-24(19-33-28(22)18-25)29(37)17-23-16-27(34-20-26(23)32)21-7-5-4-6-8-21;32-26(14-20-13-23(18-4-2-1-3-5-18)29-17-25(20)31(33)34)21-12-19-6-7-22(15-24(19)28-16-21)30-10-8-27-9-11-30;2*27-23-17-30-24(18-4-2-1-3-5-18)13-20(23)14-26(32)21-12-19-6-7-22(15-25(19)29-16-21)31-10-8-28-9-11-31;1-2-4-18(5-3-1)23-13-20-14-25(30-26(20)17-29-23)21-12-19-6-7-22(15-24(19)28-16-21)31-10-8-27-9-11-31/h4-10,15-16,18-20H,11-14,17H2,1-3H3;4-10,15-16,18-20H,11-14,17,32H2,1-3H3;1-7,12-13,15-17,27H,8-11,14H2;2*1-7,12-13,15-17,28H,8-11,14,27H2;1-7,12-13,15-17,27H,8-11,14H2.
What are the key properties of bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline?
bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline has a molecular weight of 2783.30 g/mol, XLogP of 26.90, 30 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(5-amino-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone);tert-butyl 4-[3-[2-(5-amino-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;tert-butyl 4-[3-[2-(5-nitro-2-phenyl-4-pyridinyl)acetyl]quinolin-7-yl]piperazine-1-carboxylate;2-(5-nitro-2-phenyl-4-pyridinyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;3-(5-phenyl-3H-pyrrolo[2,3-c]pyridin-2-yl)-7-piperazin-1-ylquinoline is sourced from PubChem (CID 157435188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).