(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

C16H13Cl2NO — CID 116609316

IUPAC(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESO=C(c1ccc2c(c1)CNCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NO/c17-13-3-4-15(18)14(8-13)16(20)11-2-1-10-5-6-19-9-12(10)7-11/h1-4,7-8,19H,5-6,9H2
InChIKeyOJWYJSNVXNUOPN-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.87
Rot. Bonds2

About (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone

(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (PubChem CID 116609316) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
PubChem CID116609316
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
SMILESO=C(c1ccc2c(c1)CNCC2)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2NO/c17-13-3-4-15(18)14(8-13)16(20)11-2-1-10-5-6-19-9-12(10)7-11/h1-4,7-8,19H,5-6,9H2
InChIKeyOJWYJSNVXNUOPN-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609424
(3,4-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609315
1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 121334078
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(2-fluoro-4,6-dimethylphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 106883144
3,4-dichloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901337
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920
4-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 44536182
(3-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 116609310
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 103479333
carbamoyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 91560040
(5-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 114737396

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone (CID 116609316) is (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is O=C(c1ccc2c(c1)CNCC2)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
The InChIKey is OJWYJSNVXNUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-3-4-15(18)14(8-13)16(20)11-2-1-10-5-6-19-9-12(10)7-11/h1-4,7-8,19H,5-6,9H2.
What are the key properties of (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone?
(2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone has a molecular weight of 306.19 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone is sourced from PubChem (CID 116609316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).