6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile

C13H12ClN3O — CID 107623067

IUPAC6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2cc(OC)c(Cl)cc12
InChIInChI=1S/C13H12ClN3O/c1-3-16-13-8(6-15)7-17-11-5-12(18-2)10(14)4-9(11)13/h4-5,7H,3H2,1-2H3,(H,16,17)
InChIKeyGIQVLBHBLPPWES-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.20
Rot. Bonds3

About 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile

6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile (PubChem CID 107623067) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile
PubChem CID107623067
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile
SMILESCCNc1c(C#N)cnc2cc(OC)c(Cl)cc12
InChIInChI=1S/C13H12ClN3O/c1-3-16-13-8(6-15)7-17-11-5-12(18-2)10(14)4-9(11)13/h4-5,7H,3H2,1-2H3,(H,16,17)
InChIKeyGIQVLBHBLPPWES-UHFFFAOYSA-N
XLogP3.20
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dichlorophenyl)methylamino]-6,7-diethoxyquinoline-3-carbonitrile
CID 10136640
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
4-(4-aminobutylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 156824049
5-chloro-4-(ethylamino)-6,8-dimethoxyquinoline-3-carbonitrile
CID 62188508
4-(5-aminopentylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 156824040
4-(2,3-dichloroanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328902
4-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]quinoline-3-carbonitrile
CID 133319468
4-(2-chloro-5-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328916
4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
CID 55059974
6-chloro-N,2-diethyl-7-methoxy-3-methylquinolin-4-amine
CID 107623092
4-(4-ethoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055598
4-(2,4-dichloro-5-methoxyanilino)-7-phenylquinoline-3-carbonitrile
CID 141040646

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile (CID 107623067) is 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile is CCNc1c(C#N)cnc2cc(OC)c(Cl)cc12.
What is the InChIKey of 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile?
The InChIKey is GIQVLBHBLPPWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-3-16-13-8(6-15)7-17-11-5-12(18-2)10(14)4-9(11)13/h4-5,7H,3H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile?
6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile has a molecular weight of 261.71 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile is sourced from PubChem (CID 107623067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).