1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

C16H21ClN2O2 — CID 18992574

IUPAC1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESCOc1c(C)c2c(c(Cl)c1OC)CN1CCCCCC1=N2
InChIInChI=1S/C16H21ClN2O2/c1-10-14-11(13(17)16(21-3)15(10)20-2)9-19-8-6-4-5-7-12(19)18-14/h4-9H2,1-3H3
InChIKeyPWXYMDZZDLWGLQ-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.09
Rot. Bonds2

About 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline

1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (PubChem CID 18992574) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.

Molecular Properties

Compound Name1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
PubChem CID18992574
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
SMILESCOc1c(C)c2c(c(Cl)c1OC)CN1CCCCCC1=N2
InChIInChI=1S/C16H21ClN2O2/c1-10-14-11(13(17)16(21-3)15(10)20-2)9-19-8-6-4-5-7-12(19)18-14/h4-9H2,1-3H3
InChIKeyPWXYMDZZDLWGLQ-UHFFFAOYSA-N
XLogP4.09
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-chloro-2,3-dimethoxy-4-methyl-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

Related Compounds

3-chloro-2,4-dimethyl-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992542
4-chloro-3-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992973
1-chloro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992823
3,5,6,7,8,9,10,11-octahydroimidazo[1,2-a]azonin-2-one
CID 90226489
2-chloro-4-(trifluoromethoxy)-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992668
6,8-dimethoxy-7-methyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
CID 150976400
1-bromo-3-fluoro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 18992740
3,4-dibromo-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 54322248
1-fluoro-7,8,9,11-tetrahydro-6H-pyrido[2,1-b]quinazoline
CID 18992546
6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10241903
2-(4-chloro-3-methoxy-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
CID 117425605
CID 11262251
CID 11262251

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The IUPAC name of 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline (CID 18992574) is 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline.
What is the SMILES notation for 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The canonical SMILES for 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is COc1c(C)c2c(c(Cl)c1OC)CN1CCCCCC1=N2.
What is the InChIKey of 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
The InChIKey is PWXYMDZZDLWGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-10-14-11(13(17)16(21-3)15(10)20-2)9-19-8-6-4-5-7-12(19)18-14/h4-9H2,1-3H3.
What are the key properties of 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline?
1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline has a molecular weight of 308.81 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethoxy-4-methyl-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline is sourced from PubChem (CID 18992574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).