1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

C13H15ClN2 — CID 15337793

IUPAC1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESClc1cccc2c1CN1CCCCCC1=N2
InChIInChI=1S/C13H15ClN2/c14-11-5-4-6-12-10(11)9-16-8-3-1-2-7-13(16)15-12/h4-6H,1-3,7-9H2
InChIKeyOMWVNMMKKOBHLD-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.76
Rot. Bonds

About 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (PubChem CID 15337793) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
PubChem CID15337793
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESClc1cccc2c1CN1CCCCCC1=N2
InChIInChI=1S/C13H15ClN2/c14-11-5-4-6-12-10(11)9-16-8-3-1-2-7-13(16)15-12/h4-6H,1-3,7-9H2
InChIKeyOMWVNMMKKOBHLD-UHFFFAOYSA-N
XLogP3.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The IUPAC name of 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (CID 15337793) is 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is Clc1cccc2c1CN1CCCCCC1=N2.
What is the InChIKey of 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The InChIKey is OMWVNMMKKOBHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-11-5-4-6-12-10(11)9-16-8-3-1-2-7-13(16)15-12/h4-6H,1-3,7-9H2.
What are the key properties of 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline has a molecular weight of 234.73 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 15337793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).