(4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone

C18H18ClNO2 — CID 1423452

IUPAC(4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1ccc2c(c1)[C@H](O)C[C@@H](C)N2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2/c1-11-3-8-16-15(9-11)17(21)10-12(2)20(16)18(22)13-4-6-14(19)7-5-13/h3-9,12,17,21H,10H2,1-2H3/t12-,17-/m1/s1
InChIKeyAZGHPONYURSMKP-SJKOYZFVSA-N
MW315.80 g/mol
LogP4.12
Rot. Bonds1

About (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone

(4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 1423452) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID1423452
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name(4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1ccc2c(c1)[C@H](O)C[C@@H](C)N2C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClNO2/c1-11-3-8-16-15(9-11)17(21)10-12(2)20(16)18(22)13-4-6-14(19)7-5-13/h3-9,12,17,21H,10H2,1-2H3/t12-,17-/m1/s1
InChIKeyAZGHPONYURSMKP-SJKOYZFVSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

[(2R,4R)-1-(4-bromobenzoyl)-2,6-dimethyl-3,4-dihydro-2H-quinolin-4-yl] acetate
CID 7343258
[(4aS,9bR)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(4-chlorophenyl)methanone
CID 11913504
5-chloro-1-[(2S,4R)-2-methyl-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-3H-indol-2-one
CID 58859925
(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 23889651
[(2R,3S,4R)-3,4-dihydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 6545382
[(2S,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
CID 6997421
N-[(2R,4S)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721140
N-[(2R,4R)-1-benzoyl-6-chloro-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 40721142
[(2S,3R,4R)-3,4-dichloro-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 7377775
N-(4-chlorophenyl)-N-[(2R,4S)-1-(4-fluorobenzoyl)-6-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-4-yl]propanamide
CID 21093154
[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3785325
N-(4-chlorophenyl)-N-[1-(4-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]acetamide
CID 76613782

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 1423452) is (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1ccc2c(c1)[C@H](O)C[C@@H](C)N2C(=O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is AZGHPONYURSMKP-SJKOYZFVSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-11-3-8-16-15(9-11)17(21)10-12(2)20(16)18(22)13-4-6-14(19)7-5-13/h3-9,12,17,21H,10H2,1-2H3/t12-,17-/m1/s1.
What are the key properties of (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone?
(4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 315.80 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[(2R,4R)-4-hydroxy-2,6-dimethyl-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 1423452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).