(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone

C19H20ClNO2 — CID 110636341

IUPAC(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H20ClNO2/c1-12(2)13-3-5-14(6-4-13)19(23)21-10-9-18(22)16-11-15(20)7-8-17(16)21/h3-8,11-12,18,22H,9-10H2,1-2H3
InChIKeyUIYOLJVDEDDWBK-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.55
Rot. Bonds2

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

(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone (PubChem CID 110636341) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
PubChem CID110636341
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Name(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCC(O)c3cc(Cl)ccc32)cc1
InChIInChI=1S/C19H20ClNO2/c1-12(2)13-3-5-14(6-4-13)19(23)21-10-9-18(22)16-11-15(20)7-8-17(16)21/h3-8,11-12,18,22H,9-10H2,1-2H3
InChIKeyUIYOLJVDEDDWBK-UHFFFAOYSA-N
XLogP4.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone with MolForge

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Related Compounds

4-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 110636364
1-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-ethylbutan-1-one
CID 110636328
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636381
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclopentylmethanone
CID 110636327
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-(2-methylphenyl)propanamide
CID 67645839
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-cyclohexylmethanone
CID 110636324
N-[4-[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]-2-methylbenzamide
CID 176507654
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
1,3-benzodioxol-5-yl-(4-hydroxy-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636223
N-[4-(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-3-methylphenyl]benzamide
CID 71767691
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
The IUPAC name of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone (CID 110636341) is (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCC(O)c3cc(Cl)ccc32)cc1.
What is the InChIKey of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
The InChIKey is UIYOLJVDEDDWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-12(2)13-3-5-14(6-4-13)19(23)21-10-9-18(22)16-11-15(20)7-8-17(16)21/h3-8,11-12,18,22H,9-10H2,1-2H3.
What are the key properties of (6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone?
(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(4-propan-2-ylphenyl)methanone has a molecular weight of 329.83 g/mol, XLogP of 4.55, 2 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)-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 110636341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).