4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol

C26H34N6O — CID 145433688

IUPAC4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
SMILESCN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccc(O)cc3n2)CC1
InChIInChI=1S/C26H34N6O/c1-30-12-5-13-32(17-16-30)26-28-24-18-22(33)8-9-23(24)25(29-26)27-21-10-14-31(15-11-21)19-20-6-3-2-4-7-20/h2-4,6-9,18,21,33H,5,10-17,19H2,1H3,(H,27,28,29)
InChIKeySDISRTMZBGBDDZ-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.55
Rot. Bonds5

About 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol

4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol (PubChem CID 145433688) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol.

Molecular Properties

Compound Name4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
PubChem CID145433688
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol
SMILESCN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccc(O)cc3n2)CC1
InChIInChI=1S/C26H34N6O/c1-30-12-5-13-32(17-16-30)26-28-24-18-22(33)8-9-23(24)25(29-26)27-21-10-14-31(15-11-21)19-20-6-3-2-4-7-20/h2-4,6-9,18,21,33H,5,10-17,19H2,1H3,(H,27,28,29)
InChIKeySDISRTMZBGBDDZ-UHFFFAOYSA-N
XLogP3.55
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol with MolForge

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Launch Full Analysis

Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
N-(1-benzylpiperidin-4-yl)-7-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
CID 155533577
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
6-methyl-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)-7-phenylmethoxyquinazolin-4-amine
CID 121475430
4-[(1-benzylpiperidin-4-yl)amino]-6-methoxy-2-(4-phenylpiperazin-1-yl)quinazolin-7-ol
CID 137028680
[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
CID 71571140
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
CID 44561029
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
8-[4-[4-[(1-benzylpiperidin-4-yl)amino]-6,7-dimethoxyquinazolin-2-yl]piperazin-1-yl]-N-hydroxy-8-oxooctanamide
CID 155564436
6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(oxan-4-yl)quinazolin-4-amine
CID 44604814
N-(1-benzylpiperidin-3-yl)-6,7-dimethoxy-2-piperidin-1-ylquinazolin-4-amine
CID 71738605
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol?
The IUPAC name of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol (CID 145433688) is 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol.
What is the SMILES notation for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol?
The canonical SMILES for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol is CN1CCCN(c2nc(NC3CCN(Cc4ccccc4)CC3)c3ccc(O)cc3n2)CC1.
What is the InChIKey of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol?
The InChIKey is SDISRTMZBGBDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-30-12-5-13-32(17-16-30)26-28-24-18-22(33)8-9-23(24)25(29-26)27-21-10-14-31(15-11-21)19-20-6-3-2-4-7-20/h2-4,6-9,18,21,33H,5,10-17,19H2,1H3,(H,27,28,29).
What are the key properties of 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol?
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol has a molecular weight of 446.60 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-7-ol is sourced from PubChem (CID 145433688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).