3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline

C14H15ClN2 — CID 18992275

IUPAC3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
SMILESC=C1c2ccc(Cl)cc2N=C2CCCCCN12
InChIInChI=1S/C14H15ClN2/c1-10-12-7-6-11(15)9-13(12)16-14-5-3-2-4-8-17(10)14/h6-7,9H,1-5,8H2
InChIKeyNRSBDJTYDOITNU-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.23
Rot. Bonds

About 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline

3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline (PubChem CID 18992275) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline.

Molecular Properties

Compound Name3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
PubChem CID18992275
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
SMILESC=C1c2ccc(Cl)cc2N=C2CCCCCN12
InChIInChI=1S/C14H15ClN2/c1-10-12-7-6-11(15)9-13(12)16-14-5-3-2-4-8-17(10)14/h6-7,9H,1-5,8H2
InChIKeyNRSBDJTYDOITNU-UHFFFAOYSA-N
XLogP4.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[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 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The IUPAC name of 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline (CID 18992275) is 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline.
What is the SMILES notation for 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The canonical SMILES for 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline is C=C1c2ccc(Cl)cc2N=C2CCCCCN12.
What is the InChIKey of 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The InChIKey is NRSBDJTYDOITNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-12-7-6-11(15)9-13(12)16-14-5-3-2-4-8-17(10)14/h6-7,9H,1-5,8H2.
What are the key properties of 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline has a molecular weight of 246.74 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline is sourced from PubChem (CID 18992275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).