[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone

C31H34N6O — CID 71571140

IUPAC[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C31H34N6O/c38-30(25-11-5-2-6-12-25)36-19-21-37(22-20-36)31-33-28-14-8-7-13-27(28)29(34-31)32-26-15-17-35(18-16-26)23-24-9-3-1-4-10-24/h1-14,26H,15-23H2,(H,32,33,34)
InChIKeyAFBCKXIVQSPLIU-UHFFFAOYSA-N
MW506.65 g/mol
LogP4.67
Rot. Bonds6

About [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone

[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 71571140) has the molecular formula C31H34N6O and a molecular weight of 506.65 g/mol. Its IUPAC name is [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
PubChem CID71571140
Molecular FormulaC31H34N6O
Molecular Weight506.65 g/mol
Exact Mass506.28
IUPAC Name[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C31H34N6O/c38-30(25-11-5-2-6-12-25)36-19-21-37(22-20-36)31-33-28-14-8-7-13-27(28)29(34-31)32-26-15-17-35(18-16-26)23-24-9-3-1-4-10-24/h1-14,26H,15-23H2,(H,32,33,34)
InChIKeyAFBCKXIVQSPLIU-UHFFFAOYSA-N
XLogP4.67
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.65
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone with MolForge

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Launch Full Analysis

Related Compounds

2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
CID 145433688
[9-[(1-benzylpiperidin-4-yl)amino]acridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 11698881
N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155533577
8-[4-[4-[(1-benzylpiperidin-4-yl)amino]-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 155564436
4-[(1-benzylpiperidin-4-yl)amino]-6-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol
CID 137028680
2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
CID 59682659
2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 59682658
2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 135921332
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 44561029
[9-[(1-benzylpiperidin-4-yl)amino]acridin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 16729343

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone (CID 71571140) is [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1.
What is the InChIKey of [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is AFBCKXIVQSPLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O/c38-30(25-11-5-2-6-12-25)36-19-21-37(22-20-36)31-33-28-14-8-7-13-27(28)29(34-31)32-26-15-17-35(18-16-26)23-24-9-3-1-4-10-24/h1-14,26H,15-23H2,(H,32,33,34).
What are the key properties of [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone?
[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 506.65 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 71571140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).