4-chloro-5-methylquinoline-3-carbonitrile

C11H7ClN2 — CID 134691913

IUPAC4-chloro-5-methylquinoline-3-carbonitrile
SMILESCc1cccc2ncc(C#N)c(Cl)c12
InChIInChI=1S/C11H7ClN2/c1-7-3-2-4-9-10(7)11(12)8(5-13)6-14-9/h2-4,6H,1H3
InChIKeyDLXIBLAXDQXQNM-UHFFFAOYSA-N
MW202.64 g/mol
LogP3.07
Rot. Bonds

About 4-chloro-5-methylquinoline-3-carbonitrile

4-chloro-5-methylquinoline-3-carbonitrile (PubChem CID 134691913) has the molecular formula C11H7ClN2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 4-chloro-5-methylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-5-methylquinoline-3-carbonitrile
PubChem CID134691913
Molecular FormulaC11H7ClN2
Molecular Weight202.64 g/mol
Exact Mass202.03
IUPAC Name4-chloro-5-methylquinoline-3-carbonitrile
SMILESCc1cccc2ncc(C#N)c(Cl)c12
InChIInChI=1S/C11H7ClN2/c1-7-3-2-4-9-10(7)11(12)8(5-13)6-14-9/h2-4,6H,1H3
InChIKeyDLXIBLAXDQXQNM-UHFFFAOYSA-N
XLogP3.07
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-5-methyl-6-nitroquinoline-3-carbonitrile
CID 69257904
5-chloro-4-methyl-6-phenylpyridine-3-carbonitrile
CID 69057731
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
3-chloroquinoxaline-5-carbonitrile
CID 119083814
3-methylquinoline-5-carbonitrile
CID 23510421
4-(2-methylanilino)quinoline-3-carbonitrile
CID 10015424
2-chloro-6-(5-methylquinazolin-4-yl)oxybenzonitrile
CID 167840162
4-chloro-6-(diethylamino)quinoline-3-carbonitrile
CID 63180357
7-chloro-3-methylthieno[3,2-b]pyridine-6-carbonitrile
CID 71121560
4,8-dichloro-5-fluoroquinoline-3-carbonitrile
CID 107528767
4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
4-chloro-5-(difluoromethyl)-6-methylpyridine-3-carbonitrile
CID 118850677

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methylquinoline-3-carbonitrile?
The IUPAC name of 4-chloro-5-methylquinoline-3-carbonitrile (CID 134691913) is 4-chloro-5-methylquinoline-3-carbonitrile.
What is the SMILES notation for 4-chloro-5-methylquinoline-3-carbonitrile?
The canonical SMILES for 4-chloro-5-methylquinoline-3-carbonitrile is Cc1cccc2ncc(C#N)c(Cl)c12.
What is the InChIKey of 4-chloro-5-methylquinoline-3-carbonitrile?
The InChIKey is DLXIBLAXDQXQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2/c1-7-3-2-4-9-10(7)11(12)8(5-13)6-14-9/h2-4,6H,1H3.
What are the key properties of 4-chloro-5-methylquinoline-3-carbonitrile?
4-chloro-5-methylquinoline-3-carbonitrile has a molecular weight of 202.64 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methylquinoline-3-carbonitrile is sourced from PubChem (CID 134691913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).