N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine

C26H34N6 — CID 71570992

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
SMILESCN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C26H34N6/c1-30-14-7-15-32(19-18-30)26-28-24-11-6-5-10-23(24)25(29-26)27-22-12-16-31(17-13-22)20-21-8-3-2-4-9-21/h2-6,8-11,22H,7,12-20H2,1H3,(H,27,28,29)
InChIKeyHSTHRYMYNLWUAD-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.85
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (PubChem CID 71570992) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
PubChem CID71570992
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
SMILESCN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1
InChIInChI=1S/C26H34N6/c1-30-14-7-15-32(19-18-30)26-28-24-11-6-5-10-23(24)25(29-26)27-22-12-16-31(17-13-22)20-21-8-3-2-4-9-21/h2-6,8-11,22H,7,12-20H2,1H3,(H,27,28,29)
InChIKeyHSTHRYMYNLWUAD-UHFFFAOYSA-N
XLogP3.85
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine with MolForge

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Related Compounds

4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
CID 145433688
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
6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
CID 121475430
N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155533577
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 44561029
4-[(1-benzylpiperidin-4-yl)amino]-6-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol
CID 137028680
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
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
N-(2-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 7342328
2-(4-methylpiperazin-1-yl)-N-phenylquinazolin-4-amine
CID 25178130
2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 59682658

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine (CID 71570992) is N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine is CN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
The InChIKey is HSTHRYMYNLWUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6/c1-30-14-7-15-32(19-18-30)26-28-24-11-6-5-10-23(24)25(29-26)27-22-12-16-31(17-13-22)20-21-8-3-2-4-9-21/h2-6,8-11,22H,7,12-20H2,1H3,(H,27,28,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine has a molecular weight of 430.60 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine is sourced from PubChem (CID 71570992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).