methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate

C19H14F3NO4 — CID 142731706

IUPACmethyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2n(Cc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C19H14F3NO4/c1-26-18(25)15-10-13-4-2-3-5-16(13)23(17(15)24)11-12-6-8-14(9-7-12)27-19(20,21)22/h2-10H,11H2,1H3
InChIKeyRXDGWKKPBBSWDH-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.73
Rot. Bonds4

About methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate

methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate (PubChem CID 142731706) has the molecular formula C19H14F3NO4 and a molecular weight of 377.32 g/mol. Its IUPAC name is methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
PubChem CID142731706
Molecular FormulaC19H14F3NO4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Namemethyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2n(Cc2ccc(OC(F)(F)F)cc2)c1=O
InChIInChI=1S/C19H14F3NO4/c1-26-18(25)15-10-13-4-2-3-5-16(13)23(17(15)24)11-12-6-8-14(9-7-12)27-19(20,21)22/h2-10H,11H2,1H3
InChIKeyRXDGWKKPBBSWDH-UHFFFAOYSA-N
XLogP3.73
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxylic acid
CID 142731680
N-[2-(4-bromophenyl)ethyl]-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 142731963
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
3-pentyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 67710157
methyl 6-chloro-3-[[4-(trifluoromethoxy)phenyl]methyl]benzotriazole-4-carboxylate
CID 170561621
(2S)-2-(chloroamino)-3-[2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]propanoic acid
CID 87585953
1-[[4-(methylsulfanylamino)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole-2-thione
CID 143309584
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 141247478
chloro (2S)-2-amino-3-[2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]propanoate
CID 68815177
2-ethoxy-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221242

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate?
The IUPAC name of methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate (CID 142731706) is methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate?
The canonical SMILES for methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate is COC(=O)c1cc2ccccc2n(Cc2ccc(OC(F)(F)F)cc2)c1=O.
What is the InChIKey of methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate?
The InChIKey is RXDGWKKPBBSWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3NO4/c1-26-18(25)15-10-13-4-2-3-5-16(13)23(17(15)24)11-12-6-8-14(9-7-12)27-19(20,21)22/h2-10H,11H2,1H3.
What are the key properties of methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate?
methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate has a molecular weight of 377.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate is sourced from PubChem (CID 142731706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).