(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

C16H14ClNO — CID 79746265

IUPAC(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1ccccc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C16H14ClNO/c17-14-9-2-1-7-12(14)16(19)13-8-3-5-11-6-4-10-18-15(11)13/h1-2,4,6-7,9-10,13H,3,5,8H2
InChIKeyDJRHNKJUAORWRA-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.04
Rot. Bonds2

About (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone

(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (PubChem CID 79746265) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
PubChem CID79746265
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1ccccc1Cl)C1CCCc2cccnc21
InChIInChI=1S/C16H14ClNO/c17-14-9-2-1-7-12(14)16(19)13-8-3-5-11-6-4-10-18-15(11)13/h1-2,4,6-7,9-10,13H,3,5,8H2
InChIKeyDJRHNKJUAORWRA-UHFFFAOYSA-N
XLogP4.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
(2-methyl-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 105114230
(4-bromo-2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782129
(2-amino-4-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745583
(5-amino-1H-pyrazol-4-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79745963
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
(2-methoxy-5-methylphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782285
4-chloro-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-one
CID 79745424
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[2-(trifluoromethyl)phenyl]methanone
CID 115783797
(4-chlorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanone
CID 79746175
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone (CID 79746265) is (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is O=C(c1ccccc1Cl)C1CCCc2cccnc21.
What is the InChIKey of (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
The InChIKey is DJRHNKJUAORWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-9-2-1-7-12(14)16(19)13-8-3-5-11-6-4-10-18-15(11)13/h1-2,4,6-7,9-10,13H,3,5,8H2.
What are the key properties of (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone?
(2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone has a molecular weight of 271.75 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 79746265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).