N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine

C31H36N6O — CID 155533577

IUPACN-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)
InChIKeyNWMXOHAWLAMXOO-UHFFFAOYSA-N
MW508.67 g/mol
LogP5.04
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 155533577) has the molecular formula C31H36N6O and a molecular weight of 508.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
PubChem CID155533577
Molecular FormulaC31H36N6O
Molecular Weight508.67 g/mol
Exact Mass508.30
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
SMILESCOc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34)
InChIKeyNWMXOHAWLAMXOO-UHFFFAOYSA-N
XLogP5.04
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine with MolForge

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Related Compounds

4-[(1-benzylpiperidin-4-yl)amino]-6-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol
CID 137028680
2-N-(2-aminoethyl)-4-N-(1-benzylpiperidin-4-yl)-7-methoxyquinazoline-2,4-diamine
CID 146191590
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
CID 145433688
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 44561029
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
CID 71571140
8-[4-[4-[(1-benzylpiperidin-4-yl)amino]-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 155564436
N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
CID 71738605
7-methoxy-4-(4-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]phthalazin-1-amine
CID 69213049
2-(4-benzyl-1,4-diazepan-1-yl)-6-methoxy-7-(3-piperidin-1-ylpropoxy)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
CID 53315859
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine (CID 155533577) is N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine is COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(N3CCN(c4ccccc4)CC3)nc2c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is NWMXOHAWLAMXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O/c1-38-27-12-13-28-29(22-27)33-31(37-20-18-36(19-21-37)26-10-6-3-7-11-26)34-30(28)32-25-14-16-35(17-15-25)23-24-8-4-2-5-9-24/h2-13,22,25H,14-21,23H2,1H3,(H,32,33,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 508.67 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 155533577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).