4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide

C118H96Cl3F4N15O8 — CID 160902654

IUPAC4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide
SMILESCN(C)CCN1CCC(NC(=O)c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)cc2)CC1.CN(C)CCNC(=O)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1.O=C(NC1CC1)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(F)cc5)cc4c32)cc1.O=C(NCC(F)(F)F)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1
InChIInChI=1S/C34H34ClN5O2.C29H25ClN4O2.C28H20FN3O2.C27H17ClF3N3O2/c1-38(2)19-20-39-17-15-28(16-18-39)37-34(42)24-5-11-29(12-6-24)40-32(41)14-8-26-22-36-31-13-7-25(21-30(31)33(26)40)23-3-9-27(35)10-4-23;1-33(2)16-15-31-29(36)20-5-11-24(12-6-20)34-27(35)14-8-22-18-32-26-13-7-21(17-25(26)28(22)34)19-3-9-23(30)10-4-19;29-21-7-1-17(2-8-21)19-5-13-25-24(15-19)27-20(16-30-25)6-14-26(33)32(27)23-11-3-18(4-12-23)28(34)31-22-9-10-22;28-20-7-1-16(2-8-20)18-5-11-23-22(13-18)25-19(14-32-23)6-12-24(35)34(25)21-9-3-17(4-10-21)26(36)33-15-27(29,30)31/h3-14,21-22,28H,15-20H2,1-2H3,(H,37,42);3-14,17-18H,15-16H2,1-2H3,(H,31,36);1-8,11-16,22H,9-10H2,(H,31,34);1-14H,15H2,(H,33,36)
InChIKeySPSGAXAOGMPLQH-UHFFFAOYSA-N
MW2034.51 g/mol
LogP22.15
Rot. Bonds21

About 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide

4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide (PubChem CID 160902654) has the molecular formula C118H96Cl3F4N15O8 and a molecular weight of 2034.51 g/mol. Its IUPAC name is 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide.

Molecular Properties

Compound Name4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide
PubChem CID160902654
Molecular FormulaC118H96Cl3F4N15O8
Molecular Weight2034.51 g/mol
Exact Mass2031.66
IUPAC Name4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide
SMILESCN(C)CCN1CCC(NC(=O)c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)cc2)CC1.CN(C)CCNC(=O)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1.O=C(NC1CC1)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(F)cc5)cc4c32)cc1.O=C(NCC(F)(F)F)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1
InChIInChI=1S/C34H34ClN5O2.C29H25ClN4O2.C28H20FN3O2.C27H17ClF3N3O2/c1-38(2)19-20-39-17-15-28(16-18-39)37-34(42)24-5-11-29(12-6-24)40-32(41)14-8-26-22-36-31-13-7-25(21-30(31)33(26)40)23-3-9-27(35)10-4-23;1-33(2)16-15-31-29(36)20-5-11-24(12-6-20)34-27(35)14-8-22-18-32-26-13-7-21(17-25(26)28(22)34)19-3-9-23(30)10-4-19;29-21-7-1-17(2-8-21)19-5-13-25-24(15-19)27-20(16-30-25)6-14-26(33)32(27)23-11-3-18(4-12-23)28(34)31-22-9-10-22;28-20-7-1-16(2-8-20)18-5-11-23-22(13-18)25-19(14-32-23)6-12-24(35)34(25)21-9-3-17(4-10-21)26(36)33-15-27(29,30)31/h3-14,21-22,28H,15-20H2,1-2H3,(H,37,42);3-14,17-18H,15-16H2,1-2H3,(H,31,36);1-8,11-16,22H,9-10H2,(H,31,34);1-14H,15H2,(H,33,36)
InChIKeySPSGAXAOGMPLQH-UHFFFAOYSA-N
XLogP22.15
TPSA265.68 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002034.51
LogP ≤ 522.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide 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

AV-608
CID 9917079
N-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]acetamide
CID 44389722
N-[[(3R,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]acetamide
CID 44389770
Quinoline-6-carboxylic acid [1''-(4-chloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399537
N-(3-(4-(3-(7-chloroquinolin-4-ylamino)propyl)piperazin-1-yl)propyl)quinoline-4-carboxamide
CID 10951400
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[1-(piperidin-3-ylamino)ethyl]phenyl]piperazin-1-yl]propan-2-yl]quinoline-3-carboxamide
CID 11215758
4-[4-[4-[2-(4-Methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxamide
CID 127035909
2-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155526608
2-[8-[(7-Chloroquinolin-4-yl)amino]octyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155536660
2-[6-[(7-Chloroquinolin-4-yl)amino]hexyl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 155553736
N-[1-[3,5-bis(trifluoromethyl)benzoyl]-2-[(4-chlorophenyl)methyl]piperidin-4-yl]quinoline-4-carboxamide
CID 22315915
[4-(4-Chlorobenzoyl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 13544858

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide?
The IUPAC name of 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide (CID 160902654) is 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide.
What is the SMILES notation for 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide?
The canonical SMILES for 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide is CN(C)CCN1CCC(NC(=O)c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc(Cl)cc6)cc5c43)cc2)CC1.CN(C)CCNC(=O)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1.O=C(NC1CC1)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(F)cc5)cc4c32)cc1.O=C(NCC(F)(F)F)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)cc1.
What is the InChIKey of 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide?
The InChIKey is SPSGAXAOGMPLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClN5O2.C29H25ClN4O2.C28H20FN3O2.C27H17ClF3N3O2/c1-38(2)19-20-39-17-15-28(16-18-39)37-34(42)24-5-11-29(12-6-24)40-32(41)14-8-26-22-36-31-13-7-25(21-30(31)33(26)40)23-3-9-27(35)10-4-23;1-33(2)16-15-31-29(36)20-5-11-24(12-6-20)34-27(35)14-8-22-18-32-26-13-7-21(17-25(26)28(22)34)19-3-9-23(30)10-4-19;29-21-7-1-17(2-8-21)19-5-13-25-24(15-19)27-20(16-30-25)6-14-26(33)32(27)23-11-3-18(4-12-23)28(34)31-22-9-10-22;28-20-7-1-16(2-8-20)18-5-11-23-22(13-18)25-19(14-32-23)6-12-24(35)34(25)21-9-3-17(4-10-21)26(36)33-15-27(29,30)31/h3-14,21-22,28H,15-20H2,1-2H3,(H,37,42);3-14,17-18H,15-16H2,1-2H3,(H,31,36);1-8,11-16,22H,9-10H2,(H,31,34);1-14H,15H2,(H,33,36).
What are the key properties of 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide?
4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide has a molecular weight of 2034.51 g/mol, XLogP of 22.15, 21 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[2-(dimethylamino)ethyl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]benzamide;4-[9-(4-chlorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide;N-cyclopropyl-4-[9-(4-fluorophenyl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]benzamide is sourced from PubChem (CID 160902654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).