4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline

C13H10ClN3 — CID 141402166

IUPAC4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline
SMILESCC1=CC(Cl)=NC2=Nc3ccccc3CC2=N1
InChIInChI=1S/C13H10ClN3/c1-8-6-12(14)17-13-11(15-8)7-9-4-2-3-5-10(9)16-13/h2-6H,7H2,1H3
InChIKeyOMOLSRYYJJSQTG-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.27
Rot. Bonds

About 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline

4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline (PubChem CID 141402166) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline
PubChem CID141402166
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline
SMILESCC1=CC(Cl)=NC2=Nc3ccccc3CC2=N1
InChIInChI=1S/C13H10ClN3/c1-8-6-12(14)17-13-11(15-8)7-9-4-2-3-5-10(9)16-13/h2-6H,7H2,1H3
InChIKeyOMOLSRYYJJSQTG-UHFFFAOYSA-N
XLogP3.27
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydroquinolin-2-amine
CID 4102304
4-Methyl-3,4-dihydro-1H-quinolin-(2E)-ylideneamine
CID 44400067
1H-Benzo(c)carbazole
CID 36918
11H-Pyrido(3,2-a)carbazole, 3-chloro-
CID 1815843
1H-carbazole
CID 9548749
2,4,4-Trimethyl-3,4-dihydroquinoline
CID 594116
N'-(2-methylphenyl)benzenecarboximidamide
CID 6340801
7,8,9,10,11,11a-Hexahydro-6aH-cyclohepta[c]quinolin-6-ylamine
CID 44319752
Cambridge id 5219834
CID 788174
N'-(2-methylphenyl)ethanimidamide
CID 12866780
3H-indol-2-amine
CID 21597145
7-fluoro-2,3-dimethyl-5H-1-benzazepine
CID 86184736

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline?
The IUPAC name of 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline (CID 141402166) is 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline.
What is the SMILES notation for 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline?
The canonical SMILES for 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline is CC1=CC(Cl)=NC2=Nc3ccccc3CC2=N1.
What is the InChIKey of 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline?
The InChIKey is OMOLSRYYJJSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-8-6-12(14)17-13-11(15-8)7-9-4-2-3-5-10(9)16-13/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline?
4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline has a molecular weight of 243.70 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-11H-[1,4]diazepino[2,3-b]quinoline is sourced from PubChem (CID 141402166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).