(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone

C17H18ClN3O — CID 119051320

IUPAC(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCCC2)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C17H18ClN3O/c18-14-5-4-12-6-8-21(10-13(12)9-14)17(22)15-11-20-7-2-1-3-16(20)19-15/h4-5,9,11H,1-3,6-8,10H2
InChIKeyWGULJGFQOVXPBO-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.07
Rot. Bonds1

About (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone

(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 119051320) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID119051320
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCCC2)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C17H18ClN3O/c18-14-5-4-12-6-8-21(10-13(12)9-14)17(22)15-11-20-7-2-1-3-16(20)19-15/h4-5,9,11H,1-3,6-8,10H2
InChIKeyWGULJGFQOVXPBO-UHFFFAOYSA-N
XLogP3.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 119051317
(5-chloro-2-methylphenyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 115532907
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[7-(fluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 67300824
2-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
CID 75393464
(5-chloro-1,3-dihydroisoindol-2-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 122152431
(4-butylpiperazin-1-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone
CID 71838038
3,4-dihydro-1H-isoquinolin-2-yl-[(6S)-6-(2,5-dimethoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanone
CID 93013324
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
[6-(4-chloro-2-methylanilino)-2-methylpyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109371737
ethane;N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 145225752
lithium;6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-carboxylic acid;hydride
CID 174674138
[6-(5-chloro-2-methylanilino)pyrimidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109350792

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone (CID 119051320) is (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone is O=C(c1cn2c(n1)CCCC2)N1CCc2ccc(Cl)cc2C1.
What is the InChIKey of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is WGULJGFQOVXPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-5-4-12-6-8-21(10-13(12)9-14)17(22)15-11-20-7-2-1-3-16(20)19-15/h4-5,9,11H,1-3,6-8,10H2.
What are the key properties of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone?
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 315.80 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 119051320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).