4-(azepan-1-yl)quinazolin-7-amine

C14H18N4 — CID 65336850

IUPAC4-(azepan-1-yl)quinazolin-7-amine
SMILESNc1ccc2c(N3CCCCCC3)ncnc2c1
InChIInChI=1S/C14H18N4/c15-11-5-6-12-13(9-11)16-10-17-14(12)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8,15H2
InChIKeyCMYJSNKGEHGAKG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.59
Rot. Bonds1

About 4-(azepan-1-yl)quinazolin-7-amine

4-(azepan-1-yl)quinazolin-7-amine (PubChem CID 65336850) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-(azepan-1-yl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)quinazolin-7-amine
PubChem CID65336850
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-(azepan-1-yl)quinazolin-7-amine
SMILESNc1ccc2c(N3CCCCCC3)ncnc2c1
InChIInChI=1S/C14H18N4/c15-11-5-6-12-13(9-11)16-10-17-14(12)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8,15H2
InChIKeyCMYJSNKGEHGAKG-UHFFFAOYSA-N
XLogP2.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(azepan-1-yl)quinazolin-7-amine 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-(azocan-1-yl)quinazolin-7-amine
CID 65337382
1-[4-(7-aminoquinazolin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 65336927
4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
CID 103505104
4-(azepan-1-yl)-7-methoxyquinazoline
CID 110433303
1-[1-(7-aminoquinazolin-4-yl)piperidin-4-yl]ethanol
CID 106835289
4-(azepan-1-yl)quinazoline
CID 5207391
4-(3,5-dimethylpiperidin-1-yl)quinazolin-7-amine
CID 65337141
4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-7-amine
CID 103530590
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356
4-(3,4,5-trimethylpiperazin-1-yl)quinazolin-7-amine
CID 114543048
[1-(7-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633977
4-N-piperidin-1-ylquinazoline-4,7-diamine
CID 83005963

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)quinazolin-7-amine?
The IUPAC name of 4-(azepan-1-yl)quinazolin-7-amine (CID 65336850) is 4-(azepan-1-yl)quinazolin-7-amine.
What is the SMILES notation for 4-(azepan-1-yl)quinazolin-7-amine?
The canonical SMILES for 4-(azepan-1-yl)quinazolin-7-amine is Nc1ccc2c(N3CCCCCC3)ncnc2c1.
What is the InChIKey of 4-(azepan-1-yl)quinazolin-7-amine?
The InChIKey is CMYJSNKGEHGAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-11-5-6-12-13(9-11)16-10-17-14(12)18-7-3-1-2-4-8-18/h5-6,9-10H,1-4,7-8,15H2.
What are the key properties of 4-(azepan-1-yl)quinazolin-7-amine?
4-(azepan-1-yl)quinazolin-7-amine has a molecular weight of 242.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)quinazolin-7-amine is sourced from PubChem (CID 65336850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).