methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate

C20H17FN2O3 — CID 141340602

IUPACmethyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)c(N3CCCc4ccc(F)cc43)cc2c1
InChIInChI=1S/C20H17FN2O3/c1-26-20(25)13-5-7-16-14(9-13)10-18(19(24)22-16)23-8-2-3-12-4-6-15(21)11-17(12)23/h4-7,9-11H,2-3,8H2,1H3,(H,22,24)
InChIKeyRNFAJOPAENVJCH-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.54
Rot. Bonds2

About methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate

methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate (PubChem CID 141340602) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate
PubChem CID141340602
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Namemethyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2[nH]c(=O)c(N3CCCc4ccc(F)cc43)cc2c1
InChIInChI=1S/C20H17FN2O3/c1-26-20(25)13-5-7-16-14(9-13)10-18(19(24)22-16)23-8-2-3-12-4-6-15(21)11-17(12)23/h4-7,9-11H,2-3,8H2,1H3,(H,22,24)
InChIKeyRNFAJOPAENVJCH-UHFFFAOYSA-N
XLogP3.54
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate with MolForge

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Related Compounds

methyl 3-[(2S)-2-methylpyrrolidin-1-yl]-2-oxo-1H-quinoline-6-carboxylate
CID 141344725
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
methyl 3-fluoro-4-(2-oxoimidazolidin-1-yl)benzoate
CID 59456871
methyl 6-(2,4-difluorophenyl)-5-oxo-6,7,8,9-tetrahydrobenzo[7]annulene-2-carboxylate
CID 163262627
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
methyl 3-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfonyl]benzoate
CID 175307114
3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(1H-indazol-5-yl)quinoxaline-6-carboxylic acid
CID 70645781
methyl 3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)benzoate
CID 103501354
CID 163262844
CID 163262844

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate (CID 141340602) is methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate is COC(=O)c1ccc2[nH]c(=O)c(N3CCCc4ccc(F)cc43)cc2c1.
What is the InChIKey of methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate?
The InChIKey is RNFAJOPAENVJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-26-20(25)13-5-7-16-14(9-13)10-18(19(24)22-16)23-8-2-3-12-4-6-15(21)11-17(12)23/h4-7,9-11H,2-3,8H2,1H3,(H,22,24).
What are the key properties of methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate?
methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate has a molecular weight of 352.37 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 141340602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).