methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate

C19H20ClNO4 — CID 10926522

IUPACmethyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate
SMILESCOC(=O)C1(O)CC(c2ccc(Cl)cc2)N(C)c2cc(OC)ccc21
InChIInChI=1S/C19H20ClNO4/c1-21-16-10-14(24-2)8-9-15(16)19(23,18(22)25-3)11-17(21)12-4-6-13(20)7-5-12/h4-10,17,23H,11H2,1-3H3
InChIKeyFLERKXXPLFRVHJ-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.29
Rot. Bonds3

About methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate

methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate (PubChem CID 10926522) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate
PubChem CID10926522
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namemethyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate
SMILESCOC(=O)C1(O)CC(c2ccc(Cl)cc2)N(C)c2cc(OC)ccc21
InChIInChI=1S/C19H20ClNO4/c1-21-16-10-14(24-2)8-9-15(16)19(23,18(22)25-3)11-17(21)12-4-6-13(20)7-5-12/h4-10,17,23H,11H2,1-3H3
InChIKeyFLERKXXPLFRVHJ-UHFFFAOYSA-N
XLogP3.29
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1-methyl-2-(4-methylphenyl)-2,3-dihydroindole
CID 57250330
(4R)-N-(4-chlorophenyl)-6-methoxy-2,2,4-trimethyl-3,4-dihydroquinoline-1-carboxamide
CID 6554401
(2R)-2-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 51856535
methyl (4R,5R)-4,5-bis(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-3-methyl-2-sulfanylideneimidazolidine-4-carboxylate
CID 24751696
2-(aminomethyl)-6'-methoxy-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84726602
[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 90427409
methyl (1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8-aza-16-azoniapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
CID 45266653
3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 103395075
methyl (1R,2R,3R)-1-acetamido-2-(4-methoxyphenyl)-3-methylcyclobutane-1-carboxylate
CID 166446835
[(1R,9R,10R,11R,12R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-10-yl]methyl 4-chlorobenzoate
CID 59315749
(E)-3-(4-chlorophenyl)-1-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 26663815
methyl (1R,9R,10R,12R,19R)-12-ethyl-10-hydroxy-5-methoxy-8-methyl-11-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
CID 135028118

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate (CID 10926522) is methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate is COC(=O)C1(O)CC(c2ccc(Cl)cc2)N(C)c2cc(OC)ccc21.
What is the InChIKey of methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate?
The InChIKey is FLERKXXPLFRVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-21-16-10-14(24-2)8-9-15(16)19(23,18(22)25-3)11-17(21)12-4-6-13(20)7-5-12/h4-10,17,23H,11H2,1-3H3.
What are the key properties of methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate?
methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate has a molecular weight of 361.83 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-4-hydroxy-7-methoxy-1-methyl-2,3-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 10926522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).