7-chloro-4-oxo-1H-quinoline-6-carbonitrile

C10H5ClN2O — CID 53418906

IUPAC7-chloro-4-oxo-1H-quinoline-6-carbonitrile
SMILESN#Cc1cc2c(=O)cc[nH]c2cc1Cl
InChIInChI=1S/C10H5ClN2O/c11-8-4-9-7(3-6(8)5-12)10(14)1-2-13-9/h1-4H,(H,13,14)
InChIKeyBVLUSSFFGMYWLJ-UHFFFAOYSA-N
MW204.62 g/mol
LogP2.05
Rot. Bonds

About 7-chloro-4-oxo-1H-quinoline-6-carbonitrile

7-chloro-4-oxo-1H-quinoline-6-carbonitrile (PubChem CID 53418906) has the molecular formula C10H5ClN2O and a molecular weight of 204.62 g/mol. Its IUPAC name is 7-chloro-4-oxo-1H-quinoline-6-carbonitrile.

Molecular Properties

Compound Name7-chloro-4-oxo-1H-quinoline-6-carbonitrile
PubChem CID53418906
Molecular FormulaC10H5ClN2O
Molecular Weight204.62 g/mol
Exact Mass204.01
IUPAC Name7-chloro-4-oxo-1H-quinoline-6-carbonitrile
SMILESN#Cc1cc2c(=O)cc[nH]c2cc1Cl
InChIInChI=1S/C10H5ClN2O/c11-8-4-9-7(3-6(8)5-12)10(14)1-2-13-9/h1-4H,(H,13,14)
InChIKeyBVLUSSFFGMYWLJ-UHFFFAOYSA-N
XLogP2.05
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
6-chloro-1H-indole-4-carbonitrile
CID 67050523
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
5-chloro-2-oxo-1H-quinoline-3-carbonitrile
CID 139530349
4-(6-chloro-1H-indol-5-yl)but-3-ynenitrile
CID 170474996
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
7-chloro-6-(4-chlorophenyl)-4-oxo-1H-quinoline-3-carbonitrile
CID 118010177
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
6-chloro-1H-benzo[h]quinolin-4-one
CID 23269753
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
6-chloro-1H-indole-3-carbonitrile
CID 34177040

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-oxo-1H-quinoline-6-carbonitrile?
The IUPAC name of 7-chloro-4-oxo-1H-quinoline-6-carbonitrile (CID 53418906) is 7-chloro-4-oxo-1H-quinoline-6-carbonitrile.
What is the SMILES notation for 7-chloro-4-oxo-1H-quinoline-6-carbonitrile?
The canonical SMILES for 7-chloro-4-oxo-1H-quinoline-6-carbonitrile is N#Cc1cc2c(=O)cc[nH]c2cc1Cl.
What is the InChIKey of 7-chloro-4-oxo-1H-quinoline-6-carbonitrile?
The InChIKey is BVLUSSFFGMYWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O/c11-8-4-9-7(3-6(8)5-12)10(14)1-2-13-9/h1-4H,(H,13,14).
What are the key properties of 7-chloro-4-oxo-1H-quinoline-6-carbonitrile?
7-chloro-4-oxo-1H-quinoline-6-carbonitrile has a molecular weight of 204.62 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-oxo-1H-quinoline-6-carbonitrile is sourced from PubChem (CID 53418906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).