(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H15Cl2NO3 — CID 110637100

IUPAC(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(Cl)c(Cl)c1)CCC2O
InChIInChI=1S/C17H15Cl2NO3/c1-23-11-3-4-12-15(9-11)20(7-6-16(12)21)17(22)10-2-5-13(18)14(19)8-10/h2-5,8-9,16,21H,6-7H2,1H3
InChIKeyFXDVOJFGLPQEQB-UHFFFAOYSA-N
MW352.22 g/mol
LogP4.09
Rot. Bonds2

About (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110637100) has the molecular formula C17H15Cl2NO3 and a molecular weight of 352.22 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110637100
Molecular FormulaC17H15Cl2NO3
Molecular Weight352.22 g/mol
Exact Mass351.04
IUPAC Name(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)N(C(=O)c1ccc(Cl)c(Cl)c1)CCC2O
InChIInChI=1S/C17H15Cl2NO3/c1-23-11-3-4-12-15(9-11)20(7-6-16(12)21)17(22)10-2-5-13(18)14(19)8-10/h2-5,8-9,16,21H,6-7H2,1H3
InChIKeyFXDVOJFGLPQEQB-UHFFFAOYSA-N
XLogP4.09
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 110637097
(2,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637145
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
(3,6-dichloro-2-methoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636721
4-hydroxy-7-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110637157
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
1-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3,3-diphenylpropan-1-one
CID 110637106
(3,4-dichlorophenyl)-[(2S)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidin-3-yl]methanone
CID 7482183
[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-(3-methoxyphenyl)methanone
CID 108543910
2-chloro-N-[7-chloro-1-(4-methoxybenzoyl)-3,4-dihydro-2H-quinolin-4-yl]benzamide
CID 134278889
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110637100) is (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)N(C(=O)c1ccc(Cl)c(Cl)c1)CCC2O.
What is the InChIKey of (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is FXDVOJFGLPQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3/c1-23-11-3-4-12-15(9-11)20(7-6-16(12)21)17(22)10-2-5-13(18)14(19)8-10/h2-5,8-9,16,21H,6-7H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 352.22 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110637100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).