(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone

C18H15ClN4O — CID 84592390

IUPAC(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C18H15ClN4O/c19-16-2-1-13-4-7-22(11-15(13)9-16)18(24)14-3-5-21-17(10-14)23-8-6-20-12-23/h1-3,5-6,8-10,12H,4,7,11H2
InChIKeyJBAINQSFGINHNM-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.12
Rot. Bonds2

About (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone

(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone (PubChem CID 84592390) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
PubChem CID84592390
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
SMILESO=C(c1ccnc(-n2ccnc2)c1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C18H15ClN4O/c19-16-2-1-13-4-7-22(11-15(13)9-16)18(24)14-3-5-21-17(10-14)23-8-6-20-12-23/h1-3,5-6,8-10,12H,4,7,11H2
InChIKeyJBAINQSFGINHNM-UHFFFAOYSA-N
XLogP3.12
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 87011035
N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 11516054
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 38210690
N-(4-chloro-2-hydroxyphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 75432250
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(3-pyridin-2-yloxyphenyl)methanone
CID 90596810
(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 136566028
(2-imidazol-1-yl-4-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 51085847
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 95613153
[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
CID 119469483
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 95580405
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616496

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
The IUPAC name of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone (CID 84592390) is (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone.
What is the SMILES notation for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
The canonical SMILES for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone is O=C(c1ccnc(-n2ccnc2)c1)N1CCc2ccc(Cl)cc2C1.
What is the InChIKey of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
The InChIKey is JBAINQSFGINHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-16-2-1-13-4-7-22(11-15(13)9-16)18(24)14-3-5-21-17(10-14)23-8-6-20-12-23/h1-3,5-6,8-10,12H,4,7,11H2.
What are the key properties of (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone?
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone has a molecular weight of 338.80 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone is sourced from PubChem (CID 84592390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).