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

C14H15ClN2 — CID 46905532

IUPAC2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
SMILESC=C1c2cc(Cl)ccc2N=C2CCCCCN12
InChIInChI=1S/C14H15ClN2/c1-10-12-9-11(15)6-7-13(12)16-14-5-3-2-4-8-17(10)14/h6-7,9H,1-5,8H2
InChIKeyVHAAMEUGSIJIGI-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.23
Rot. Bonds

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

2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline (PubChem CID 46905532) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline.

Molecular Properties

Compound Name2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
PubChem CID46905532
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
SMILESC=C1c2cc(Cl)ccc2N=C2CCCCCN12
InChIInChI=1S/C14H15ClN2/c1-10-12-9-11(15)6-7-13(12)16-14-5-3-2-4-8-17(10)14/h6-7,9H,1-5,8H2
InChIKeyVHAAMEUGSIJIGI-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

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Related Compounds

Chlordimeform
CID 22544
CI-1002
CID 9838284
CI-1002 hydrochloride
CID 18992283
3-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline
CID 18992275
3-[6-chloro-2-methyl-4-(4-methylphenyl)-4H-quinazolin-3-yl]-N,N-dimethylpropan-1-amine
CID 54669774
3-benzyl-6-chloro-2-methyl-4-phenyl-4H-quinazoline
CID 54757706
6-chloro-3-[(2-fluorophenyl)methyl]-2-methyl-4-phenyl-4H-quinazoline
CID 54757709
6-chloro-2-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]-4-phenyl-4H-quinazoline
CID 54757807
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
6,7,8,9,10,12-Hexahydroazepino[2,1-b]quinazoline
CID 10241903
3-Chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 10243146
2-Chloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
CID 12344042

Frequently Asked Questions

What is the IUPAC name of 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The IUPAC name of 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline (CID 46905532) is 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline.
What is the SMILES notation for 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The canonical SMILES for 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline is C=C1c2cc(Cl)ccc2N=C2CCCCCN12.
What is the InChIKey of 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
The InChIKey is VHAAMEUGSIJIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c1-10-12-9-11(15)6-7-13(12)16-14-5-3-2-4-8-17(10)14/h6-7,9H,1-5,8H2.
What are the key properties of 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline?
2-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 2-chloro-12-methylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline is sourced from PubChem (CID 46905532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).