2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile

C17H12ClN3 — CID 10827600

IUPAC2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)c(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H12ClN3/c1-11-6-8-12(9-7-11)20-16-13-4-2-3-5-15(13)21-17(18)14(16)10-19/h2-9H,1H3,(H,20,21)
InChIKeyPOUMBJKCWBTKDT-UHFFFAOYSA-N
MW293.76 g/mol
LogP4.81
Rot. Bonds2

About 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile

2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile (PubChem CID 10827600) has the molecular formula C17H12ClN3 and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
PubChem CID10827600
Molecular FormulaC17H12ClN3
Molecular Weight293.76 g/mol
Exact Mass293.07
IUPAC Name2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
SMILESCc1ccc(Nc2c(C#N)c(Cl)nc3ccccc23)cc1
InChIInChI=1S/C17H12ClN3/c1-11-6-8-12(9-7-11)20-16-13-4-2-3-5-15(13)21-17(18)14(16)10-19/h2-9H,1H3,(H,20,21)
InChIKeyPOUMBJKCWBTKDT-UHFFFAOYSA-N
XLogP4.81
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(methylamino)quinoline-3-carbonitrile
CID 10608831
N-(4-methylphenyl)phenanthridin-6-amine
CID 156902145
1,4-bis(4-methylanilino)-9,10-dioxoanthracene-2,3-dicarbonitrile
CID 12840844
N-(4-methylphenyl)-2-methylsulfanylquinazolin-4-amine
CID 86199310
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
sodium;9-chloroacridine;bis(N-(4-chlorophenyl)acridin-9-amine);hydroxide;hydrochloride
CID 160972351
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758
4-methyl-N-[4-[(2-methylacridin-9-yl)amino]phenyl]benzenesulfonamide
CID 127036796
4-anilino-6-(4-methylphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
CID 15630605
6-chloro-4-(4-methylanilino)quinoline-3-carbonitrile
CID 50768417
4-anilino-3,5,6-trichloropyridine-2-carbonitrile
CID 166798381
4-(4-ethoxyanilino)quinoline-3-carbonitrile
CID 50768656

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
The IUPAC name of 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile (CID 10827600) is 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
The canonical SMILES for 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile is Cc1ccc(Nc2c(C#N)c(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
The InChIKey is POUMBJKCWBTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3/c1-11-6-8-12(9-7-11)20-16-13-4-2-3-5-15(13)21-17(18)14(16)10-19/h2-9H,1H3,(H,20,21).
What are the key properties of 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile?
2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile has a molecular weight of 293.76 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-methylanilino)quinoline-3-carbonitrile is sourced from PubChem (CID 10827600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).