2-(7-chloro-4-methylquinolin-2-yl)acetonitrile

C12H9ClN2 — CID 84622518

IUPAC2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
SMILESCc1cc(CC#N)nc2cc(Cl)ccc12
InChIInChI=1S/C12H9ClN2/c1-8-6-10(4-5-14)15-12-7-9(13)2-3-11(8)12/h2-3,6-7H,4H2,1H3
InChIKeyDQILDPYSLIGGNB-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.26
Rot. Bonds1

About 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile

2-(7-chloro-4-methylquinolin-2-yl)acetonitrile (PubChem CID 84622518) has the molecular formula C12H9ClN2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
PubChem CID84622518
Molecular FormulaC12H9ClN2
Molecular Weight216.67 g/mol
Exact Mass216.05
IUPAC Name2-(7-chloro-4-methylquinolin-2-yl)acetonitrile
SMILESCc1cc(CC#N)nc2cc(Cl)ccc12
InChIInChI=1S/C12H9ClN2/c1-8-6-10(4-5-14)15-12-7-9(13)2-3-11(8)12/h2-3,6-7H,4H2,1H3
InChIKeyDQILDPYSLIGGNB-UHFFFAOYSA-N
XLogP3.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-fluoro-4-methylquinolin-2-yl)acetonitrile
CID 84619654
4-(7-chloro-4-methylquinolin-2-yl)butan-1-amine
CID 82577739
2-(7-chloro-4,8-dimethylquinolin-2-yl)acetonitrile
CID 84626490
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
2-butyl-6-chloro-4-methylquinoline
CID 23624331
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602
2-[6-(difluoromethyl)-5-methoxy-4-methyl-2-pyridinyl]acetonitrile
CID 118842860
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile
CID 82243793
7-chloro-4-methylquinoline-2-carboximidamide
CID 82573454
2-(2-amino-6-chloropyrimidin-4-yl)acetonitrile
CID 15925928
7-chloro-4-methoxy-2-methylquinoline
CID 82581159

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile?
The IUPAC name of 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile (CID 84622518) is 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile.
What is the SMILES notation for 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile?
The canonical SMILES for 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile is Cc1cc(CC#N)nc2cc(Cl)ccc12.
What is the InChIKey of 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile?
The InChIKey is DQILDPYSLIGGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2/c1-8-6-10(4-5-14)15-12-7-9(13)2-3-11(8)12/h2-3,6-7H,4H2,1H3.
What are the key properties of 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile?
2-(7-chloro-4-methylquinolin-2-yl)acetonitrile has a molecular weight of 216.67 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-methylquinolin-2-yl)acetonitrile is sourced from PubChem (CID 84622518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).