methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate

C19H17NO3 — CID 141038832

IUPACmethyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
SMILESCOC(=O)c1c(C)c(-c2ccccc2)nc2cccc(OC)c12
InChIInChI=1S/C19H17NO3/c1-12-16(19(21)23-3)17-14(10-7-11-15(17)22-2)20-18(12)13-8-5-4-6-9-13/h4-11H,1-3H3
InChIKeyOQJAZYKPNZILTP-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.01
Rot. Bonds3

About methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate

methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate (PubChem CID 141038832) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
PubChem CID141038832
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
SMILESCOC(=O)c1c(C)c(-c2ccccc2)nc2cccc(OC)c12
InChIInChI=1S/C19H17NO3/c1-12-16(19(21)23-3)17-14(10-7-11-15(17)22-2)20-18(12)13-8-5-4-6-9-13/h4-11H,1-3H3
InChIKeyOQJAZYKPNZILTP-UHFFFAOYSA-N
XLogP4.01
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-ethynyl-3-methyl-2-phenylquinoline-4-carboxylate
CID 122539418
sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate
CID 23673409
dimethyl 1-phenylisoquinoline-3,4-dicarboxylate
CID 11858745
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
methyl 1-methyl-3-phenylisoquinoline-4-carboxylate
CID 138972318
methyl 3-phenyl-1,4-benzothiazin-1-ium-2-carboxylate
CID 21240753
methyl 2-amino-4-phenylquinazoline-5-carboxylate
CID 174554853
methyl 4-methyl-2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4536194
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
2-(4-methoxyphenyl)-3-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 896971
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
methyl 3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxylate
CID 10781962

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate?
The IUPAC name of methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate (CID 141038832) is methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate?
The canonical SMILES for methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate is COC(=O)c1c(C)c(-c2ccccc2)nc2cccc(OC)c12.
What is the InChIKey of methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate?
The InChIKey is OQJAZYKPNZILTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-16(19(21)23-3)17-14(10-7-11-15(17)22-2)20-18(12)13-8-5-4-6-9-13/h4-11H,1-3H3.
What are the key properties of methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate?
methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 141038832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).