4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine

C16H23N5 — CID 65337256

IUPAC4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCN3CCCCCC3)ncnc2c1
InChIInChI=1S/C16H23N5/c17-13-5-6-14-15(11-13)19-12-20-16(14)18-7-10-21-8-3-1-2-4-9-21/h5-6,11-12H,1-4,7-10,17H2,(H,18,19,20)
InChIKeyBAAVJZHQYNRAAV-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.50
Rot. Bonds4

About 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine

4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine (PubChem CID 65337256) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
PubChem CID65337256
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine
SMILESNc1ccc2c(NCCN3CCCCCC3)ncnc2c1
InChIInChI=1S/C16H23N5/c17-13-5-6-14-15(11-13)19-12-20-16(14)18-7-10-21-8-3-1-2-4-9-21/h5-6,11-12H,1-4,7-10,17H2,(H,18,19,20)
InChIKeyBAAVJZHQYNRAAV-UHFFFAOYSA-N
XLogP2.50
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine 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-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,7-diamine
CID 65336790
4-N-piperidin-1-ylquinazoline-4,7-diamine
CID 83005963
4-N-[2-(4-methylpiperidin-1-yl)ethyl]quinazoline-4,6-diamine
CID 64588487
4-N-[2-(cyclohexen-1-yl)ethyl]quinazoline-4,7-diamine
CID 107846044
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
6-nitro-N-(2-pyrrolidin-1-ylethyl)quinazolin-4-amine
CID 64588867
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
1-[4-[2-[(7-chloroquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 87014727
4-(azepan-1-yl)quinazolin-7-amine
CID 65336850

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine (CID 65337256) is 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine is Nc1ccc2c(NCCN3CCCCCC3)ncnc2c1.
What is the InChIKey of 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine?
The InChIKey is BAAVJZHQYNRAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c17-13-5-6-14-15(11-13)19-12-20-16(14)18-7-10-21-8-3-1-2-4-9-21/h5-6,11-12H,1-4,7-10,17H2,(H,18,19,20).
What are the key properties of 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine?
4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(azepan-1-yl)ethyl]quinazoline-4,7-diamine is sourced from PubChem (CID 65337256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).