(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone

C16H20ClNO2 — CID 110636324

IUPAC(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C16H20ClNO2/c17-12-6-7-14-13(10-12)15(19)8-9-18(14)16(20)11-4-2-1-3-5-11/h6-7,10-11,15,19H,1-5,8-9H2
InChIKeyBWADKHBSMVRWMA-UHFFFAOYSA-N
MW293.79 g/mol
LogP3.69
Rot. Bonds1

About (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone (PubChem CID 110636324) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone.

Molecular Properties

Compound Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
PubChem CID110636324
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
SMILESO=C(C1CCCCC1)N1CCC(O)c2cc(Cl)ccc21
InChIInChI=1S/C16H20ClNO2/c17-12-6-7-14-13(10-12)15(19)8-9-18(14)16(20)11-4-2-1-3-5-11/h6-7,10-11,15,19H,1-5,8-9H2
InChIKeyBWADKHBSMVRWMA-UHFFFAOYSA-N
XLogP3.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 110636327
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
CID 110636328
cyclohexyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537371
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636381
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 110636341
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 138699399
4-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 110636364
(6-fluoro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110636555
cyclopropyl-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 104537354
2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636689

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone?
The IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone (CID 110636324) is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone.
What is the SMILES notation for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone?
The canonical SMILES for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone is O=C(C1CCCCC1)N1CCC(O)c2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone?
The InChIKey is BWADKHBSMVRWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c17-12-6-7-14-13(10-12)15(19)8-9-18(14)16(20)11-4-2-1-3-5-11/h6-7,10-11,15,19H,1-5,8-9H2.
What are the key properties of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone?
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone has a molecular weight of 293.79 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone is sourced from PubChem (CID 110636324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).