2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine

C83H87ClF3N19 — CID 173104704

IUPAC2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine
SMILESClc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cn1.FC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cn1.c1ccc(CNc2nc(N3CCCCCC3)nc3ccccc23)cc1.c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)ccnc2c1
InChIInChI=1S/C23H23N5.C21H24N4.C20H20F3N5.C19H20ClN5/c1-6-14-28(15-7-1)23-26-21-11-5-3-9-19(21)22(27-23)25-16-17-12-13-24-20-10-4-2-8-18(17)20;1-2-9-15-25(14-8-1)21-23-19-13-7-6-12-18(19)20(24-21)22-16-17-10-4-3-5-11-17;21-20(22,23)17-9-8-14(12-24-17)13-25-18-15-6-2-3-7-16(15)26-19(27-18)28-10-4-1-5-11-28;20-17-9-8-14(12-21-17)13-22-18-15-6-2-3-7-16(15)23-19(24-18)25-10-4-1-5-11-25/h2-5,8-13H,1,6-7,14-16H2,(H,25,26,27);3-7,10-13H,1-2,8-9,14-16H2,(H,22,23,24);2-3,6-9,12H,1,4-5,10-11,13H2,(H,25,26,27);2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,23,24)
InChIKeyMGVMJNUVHNTTLR-UHFFFAOYSA-N
MW1443.19 g/mol
LogP18.33
Rot. Bonds16

About 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine

2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 173104704) has the molecular formula C83H87ClF3N19 and a molecular weight of 1443.19 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine
PubChem CID173104704
Molecular FormulaC83H87ClF3N19
Molecular Weight1443.19 g/mol
Exact Mass1441.70
IUPAC Name2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine
SMILESClc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cn1.FC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cn1.c1ccc(CNc2nc(N3CCCCCC3)nc3ccccc23)cc1.c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)ccnc2c1
InChIInChI=1S/C23H23N5.C21H24N4.C20H20F3N5.C19H20ClN5/c1-6-14-28(15-7-1)23-26-21-11-5-3-9-19(21)22(27-23)25-16-17-12-13-24-20-10-4-2-8-18(17)20;1-2-9-15-25(14-8-1)21-23-19-13-7-6-12-18(19)20(24-21)22-16-17-10-4-3-5-11-17;21-20(22,23)17-9-8-14(12-24-17)13-25-18-15-6-2-3-7-16(15)26-19(27-18)28-10-4-1-5-11-28;20-17-9-8-14(12-21-17)13-22-18-15-6-2-3-7-16(15)23-19(24-18)25-10-4-1-5-11-25/h2-5,8-13H,1,6-7,14-16H2,(H,25,26,27);3-7,10-13H,1-2,8-9,14-16H2,(H,22,23,24);2-3,6-9,12H,1,4-5,10-11,13H2,(H,25,26,27);2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,23,24)
InChIKeyMGVMJNUVHNTTLR-UHFFFAOYSA-N
XLogP18.33
TPSA202.87 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001443.19
LogP ≤ 518.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
CID 68723523
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 91963464
N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
CID 71690751
N-benzyl-2-(4-ethylpiperazin-1-yl)quinazolin-4-amine
CID 2976210
N-benzyl-2-(4-ethylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 25144317
6-chloro-2-(2-phenylethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 56688447
4-N-(2-piperidin-1-ylquinazolin-4-yl)pyrimidine-2,4-diamine
CID 59213363
2-(azepan-1-yl)-N-benzylpyrimidin-4-amine
CID 112889457
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 71690736

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine (CID 173104704) is 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine is Clc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cn1.FC(F)(F)c1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cn1.c1ccc(CNc2nc(N3CCCCCC3)nc3ccccc23)cc1.c1ccc2c(CNc3nc(N4CCCCC4)nc4ccccc34)ccnc2c1.
What is the InChIKey of 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine?
The InChIKey is MGVMJNUVHNTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5.C21H24N4.C20H20F3N5.C19H20ClN5/c1-6-14-28(15-7-1)23-26-21-11-5-3-9-19(21)22(27-23)25-16-17-12-13-24-20-10-4-2-8-18(17)20;1-2-9-15-25(14-8-1)21-23-19-13-7-6-12-18(19)20(24-21)22-16-17-10-4-3-5-11-17;21-20(22,23)17-9-8-14(12-24-17)13-25-18-15-6-2-3-7-16(15)26-19(27-18)28-10-4-1-5-11-28;20-17-9-8-14(12-21-17)13-22-18-15-6-2-3-7-16(15)23-19(24-18)25-10-4-1-5-11-25/h2-5,8-13H,1,6-7,14-16H2,(H,25,26,27);3-7,10-13H,1-2,8-9,14-16H2,(H,22,23,24);2-3,6-9,12H,1,4-5,10-11,13H2,(H,25,26,27);2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,23,24).
What are the key properties of 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine?
2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 1443.19 g/mol, XLogP of 18.33, 16 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-benzylquinazolin-4-amine;N-[(6-chloro-3-pyridinyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;2-piperidin-1-yl-N-(quinolin-4-ylmethyl)quinazolin-4-amine;2-piperidin-1-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 173104704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).