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

C11H8ClN3 — CID 10608831

IUPAC2-chloro-4-(methylamino)quinoline-3-carbonitrile
SMILESCNc1c(C#N)c(Cl)nc2ccccc12
InChIInChI=1S/C11H8ClN3/c1-14-10-7-4-2-3-5-9(7)15-11(12)8(10)6-13/h2-5H,1H3,(H,14,15)
InChIKeyHPVDKROSFGLRLB-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.80
Rot. Bonds1

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

2-chloro-4-(methylamino)quinoline-3-carbonitrile (PubChem CID 10608831) has the molecular formula C11H8ClN3 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-chloro-4-(methylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-(methylamino)quinoline-3-carbonitrile
PubChem CID10608831
Molecular FormulaC11H8ClN3
Molecular Weight217.66 g/mol
Exact Mass217.04
IUPAC Name2-chloro-4-(methylamino)quinoline-3-carbonitrile
SMILESCNc1c(C#N)c(Cl)nc2ccccc12
InChIInChI=1S/C11H8ClN3/c1-14-10-7-4-2-3-5-9(7)15-11(12)8(10)6-13/h2-5H,1H3,(H,14,15)
InChIKeyHPVDKROSFGLRLB-UHFFFAOYSA-N
XLogP2.80
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.80
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-(4-methylanilino)quinoline-3-carbonitrile
CID 10827600
4-(methylamino)-6-phenoxy-2-(trifluoromethyl)quinoline-3-carbonitrile
CID 135272139
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(2,2-dimethylpropylamino)-2-iodoquinoline-3-carbonitrile
CID 140819726
4-(2,2-dimethylpropylamino)-2-methoxyquinoline-3-carbonitrile
CID 140819707
4-chloro-N,1-dimethylimidazo[4,5-c]quinolin-2-amine
CID 86227601
2,4-bis(2-hydroxyethylamino)quinoline-3-carbonitrile
CID 171987692
3-chloroquinoline-4-carbonitrile
CID 119084140
2-(methylamino)naphthalene-1-carbonitrile
CID 12758537
1-(methylamino)naphthalene-2-carbonitrile
CID 134243586
4-(benzylamino)-2-ethylsulfanylquinoline-3-carbonitrile
CID 156777240
3-phenylcinnoline-4-carbonitrile
CID 10868127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(methylamino)quinoline-3-carbonitrile?
The IUPAC name of 2-chloro-4-(methylamino)quinoline-3-carbonitrile (CID 10608831) is 2-chloro-4-(methylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-chloro-4-(methylamino)quinoline-3-carbonitrile?
The canonical SMILES for 2-chloro-4-(methylamino)quinoline-3-carbonitrile is CNc1c(C#N)c(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-(methylamino)quinoline-3-carbonitrile?
The InChIKey is HPVDKROSFGLRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3/c1-14-10-7-4-2-3-5-9(7)15-11(12)8(10)6-13/h2-5H,1H3,(H,14,15).
What are the key properties of 2-chloro-4-(methylamino)quinoline-3-carbonitrile?
2-chloro-4-(methylamino)quinoline-3-carbonitrile has a molecular weight of 217.66 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(methylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 10608831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).