1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone

C15H19N5O — CID 65336927

IUPAC1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2ncnc3cc(N)ccc23)CC1
InChIInChI=1S/C15H19N5O/c1-11(21)19-5-2-6-20(8-7-19)15-13-4-3-12(16)9-14(13)17-10-18-15/h3-4,9-10H,2,5-8,16H2,1H3
InChIKeyGLQPIMJOBDPJMP-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.27
Rot. Bonds1

About 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone

1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone (PubChem CID 65336927) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
PubChem CID65336927
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(c2ncnc3cc(N)ccc23)CC1
InChIInChI=1S/C15H19N5O/c1-11(21)19-5-2-6-20(8-7-19)15-13-4-3-12(16)9-14(13)17-10-18-15/h3-4,9-10H,2,5-8,16H2,1H3
InChIKeyGLQPIMJOBDPJMP-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azepan-1-yl)quinazolin-7-amine
CID 65336850
4-(azocan-1-yl)quinazolin-7-amine
CID 65337382
1-[4-(6-chloroquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 171328778
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356
4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
CID 103505104
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
2-amino-1-[4-(6,7-dimethoxyquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 156824002
4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
CID 103530590
4-(3,5-dimethylpiperidin-1-yl)quinazolin-7-amine
CID 65337141
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone (CID 65336927) is 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(c2ncnc3cc(N)ccc23)CC1.
What is the InChIKey of 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is GLQPIMJOBDPJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(21)19-5-2-6-20(8-7-19)15-13-4-3-12(16)9-14(13)17-10-18-15/h3-4,9-10H,2,5-8,16H2,1H3.
What are the key properties of 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone?
1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 65336927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).