(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C24H18ClN3O — CID 2965627

IUPAC(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCc2ccccc2C1
InChIInChI=1S/C24H18ClN3O/c25-19-5-6-22-20(13-19)21(14-23(27-22)17-7-10-26-11-8-17)24(29)28-12-9-16-3-1-2-4-18(16)15-28/h1-8,10-11,13-14H,9,12,15H2
InChIKeyHBLRNJJZAYVIRJ-UHFFFAOYSA-N
MW399.88 g/mol
LogP5.15
Rot. Bonds2

About (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 2965627) has the molecular formula C24H18ClN3O and a molecular weight of 399.88 g/mol. Its IUPAC name is (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID2965627
Molecular FormulaC24H18ClN3O
Molecular Weight399.88 g/mol
Exact Mass399.11
IUPAC Name(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCc2ccccc2C1
InChIInChI=1S/C24H18ClN3O/c25-19-5-6-22-20(13-19)21(14-23(27-22)17-7-10-26-11-8-17)24(29)28-12-9-16-3-1-2-4-18(16)15-28/h1-8,10-11,13-14H,9,12,15H2
InChIKeyHBLRNJJZAYVIRJ-UHFFFAOYSA-N
XLogP5.15
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.88
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(6-chloro-2-pyridin-4-ylquinolin-4-yl)-piperidin-1-ylmethanone
CID 17375203
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-[4-(3,4-dichlorophenyl)piperazin-1-yl]methanone
CID 17375214
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 90652271
(6-methyl-2-pyridin-4-ylquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1261235
(2-amino-6-pyridin-4-ylquinazolin-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 25161019
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
(3-methylphenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 38462791
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 2965627) is (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCc2ccccc2C1.
What is the InChIKey of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is HBLRNJJZAYVIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O/c25-19-5-6-22-20(13-19)21(14-23(27-22)17-7-10-26-11-8-17)24(29)28-12-9-16-3-1-2-4-18(16)15-28/h1-8,10-11,13-14H,9,12,15H2.
What are the key properties of (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 399.88 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridin-4-ylquinolin-4-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 2965627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).