6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine

C31H29F2N5 — CID 164821038

IUPAC6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine
SMILESCc1ccc2ccc(F)c(-c3ccc4nc(NC5CCN(Cc6ccc(F)cc6)CC5)nc(C)c4c3)c2n1
InChIInChI=1S/C31H29F2N5/c1-19-3-6-22-7-11-27(33)29(30(22)34-19)23-8-12-28-26(17-23)20(2)35-31(37-28)36-25-13-15-38(16-14-25)18-21-4-9-24(32)10-5-21/h3-12,17,25H,13-16,18H2,1-2H3,(H,35,36,37)
InChIKeyZEGXNAZWMBIGMG-UHFFFAOYSA-N
MW509.60 g/mol
LogP6.82
Rot. Bonds5

About 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine

6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine (PubChem CID 164821038) has the molecular formula C31H29F2N5 and a molecular weight of 509.60 g/mol. Its IUPAC name is 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine.

Molecular Properties

Compound Name6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine
PubChem CID164821038
Molecular FormulaC31H29F2N5
Molecular Weight509.60 g/mol
Exact Mass509.24
IUPAC Name6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine
SMILESCc1ccc2ccc(F)c(-c3ccc4nc(NC5CCN(Cc6ccc(F)cc6)CC5)nc(C)c4c3)c2n1
InChIInChI=1S/C31H29F2N5/c1-19-3-6-22-7-11-27(33)29(30(22)34-19)23-8-12-28-26(17-23)20(2)35-31(37-28)36-25-13-15-38(16-14-25)18-21-4-9-24(32)10-5-21/h3-12,17,25H,13-16,18H2,1-2H3,(H,35,36,37)
InChIKeyZEGXNAZWMBIGMG-UHFFFAOYSA-N
XLogP6.82
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.60
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine with MolForge

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-amine
CID 164821012
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-methyl-6-(2-methyl-3-pyridinyl)quinazolin-2-amine
CID 164820996
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(6-chloroquinolin-4-yl)-4-methylquinazolin-2-amine
CID 164820966
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-4-methyl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazolin-2-amine
CID 164820951
N-(3,5-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 5184956
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 3059133
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-4,6,7-trimethoxyquinazolin-2-amine
CID 68784563
N-[(3,4-difluorophenyl)methyl]-1-(6-fluoro-4-methylquinazolin-2-yl)azepan-4-amine
CID 118758469
N-(cyclopropylmethyl)-1-[(2-methylquinolin-6-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841570
1-[(4-fluorophenyl)methyl]-N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5,6-dimethylbenzimidazol-2-amine
CID 58580490
N-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 7346266

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine?
The IUPAC name of 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine (CID 164821038) is 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine.
What is the SMILES notation for 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine?
The canonical SMILES for 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine is Cc1ccc2ccc(F)c(-c3ccc4nc(NC5CCN(Cc6ccc(F)cc6)CC5)nc(C)c4c3)c2n1.
What is the InChIKey of 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine?
The InChIKey is ZEGXNAZWMBIGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F2N5/c1-19-3-6-22-7-11-27(33)29(30(22)34-19)23-8-12-28-26(17-23)20(2)35-31(37-28)36-25-13-15-38(16-14-25)18-21-4-9-24(32)10-5-21/h3-12,17,25H,13-16,18H2,1-2H3,(H,35,36,37).
What are the key properties of 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine?
6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine has a molecular weight of 509.60 g/mol, XLogP of 6.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-2-methylquinolin-8-yl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylquinazolin-2-amine is sourced from PubChem (CID 164821038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).