2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile

C24H20ClN5O — CID 71598258

IUPAC2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
SMILESN#CC1C(c2cc3ccccc3nc2Cl)C2=C(CCCC2=O)N(c2cccnc2)C1N
InChIInChI=1S/C24H20ClN5O/c25-23-16(11-14-5-1-2-7-18(14)29-23)21-17(12-26)24(27)30(15-6-4-10-28-13-15)19-8-3-9-20(31)22(19)21/h1-2,4-7,10-11,13,17,21,24H,3,8-9,27H2
InChIKeyJGFOKIKQWFOVDI-UHFFFAOYSA-N
MW429.91 g/mol
LogP4.32
Rot. Bonds2

About 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile

2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile (PubChem CID 71598258) has the molecular formula C24H20ClN5O and a molecular weight of 429.91 g/mol. Its IUPAC name is 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
PubChem CID71598258
Molecular FormulaC24H20ClN5O
Molecular Weight429.91 g/mol
Exact Mass429.14
IUPAC Name2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile
SMILESN#CC1C(c2cc3ccccc3nc2Cl)C2=C(CCCC2=O)N(c2cccnc2)C1N
InChIInChI=1S/C24H20ClN5O/c25-23-16(11-14-5-1-2-7-18(14)29-23)21-17(12-26)24(27)30(15-6-4-10-28-13-15)19-8-3-9-20(31)22(19)21/h1-2,4-7,10-11,13,17,21,24H,3,8-9,27H2
InChIKeyJGFOKIKQWFOVDI-UHFFFAOYSA-N
XLogP4.32
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4R)-2-amino-5-oxo-4-(5-phenyl-1H-pyrazol-4-yl)-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 40559445
2-amino-4-[5-[(2-chlorophenoxy)methyl]-2,4-dimethylphenyl]-5-oxo-1-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4187212
5-chloro-4-methyl-3-oxo-2-pyridin-3-yl-1H-isoindole-1-carbonitrile
CID 110448644
2-amino-1-(3-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4599331
2-pyridin-3-yl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 69242235
(4S)-1-(3-chloro-4-fluorophenyl)-5-oxo-4-pyridin-3-yl-2-pyrrol-1-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 42553663
(4R)-2-amino-1-(4-fluorophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1249117
6-amino-8-(2-chloroquinolin-3-yl)-9-nitro-2,3,4,8-tetrahydro-1H-pyrido[1,2-a]pyrimidine-7-carbonitrile
CID 146001335
2-chloro-3-cyclohexylquinoline
CID 14001235
2-amino-1-(4-nitrophenyl)-5-oxo-4-pyridin-3-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3433697
1-pyridin-3-yl-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 6496733
(4S)-2-amino-1'-methyl-2',5-dioxo-1-pyridin-3-ylspiro[7,8-dihydro-6H-quinoline-4,3'-indole]-3-carbonitrile
CID 7230308

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile (CID 71598258) is 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile is N#CC1C(c2cc3ccccc3nc2Cl)C2=C(CCCC2=O)N(c2cccnc2)C1N.
What is the InChIKey of 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile?
The InChIKey is JGFOKIKQWFOVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O/c25-23-16(11-14-5-1-2-7-18(14)29-23)21-17(12-26)24(27)30(15-6-4-10-28-13-15)19-8-3-9-20(31)22(19)21/h1-2,4-7,10-11,13,17,21,24H,3,8-9,27H2.
What are the key properties of 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile?
2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile has a molecular weight of 429.91 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloroquinolin-3-yl)-5-oxo-1-pyridin-3-yl-2,3,4,6,7,8-hexahydroquinoline-3-carbonitrile is sourced from PubChem (CID 71598258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).