7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C21H23FN2O3 — CID 47043903

IUPAC7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)C2CC(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C21H23FN2O3/c1-13(2)27-12-15-5-3-4-14(8-15)11-23-21(26)18-10-20(25)24-19-9-16(22)6-7-17(18)19/h3-9,13,18H,10-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKPHDCMPPTCWXRQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.49
Rot. Bonds6

About 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 47043903) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID47043903
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)C2CC(=O)Nc3cc(F)ccc32)c1
InChIInChI=1S/C21H23FN2O3/c1-13(2)27-12-15-5-3-4-14(8-15)11-23-21(26)18-10-20(25)24-19-9-16(22)6-7-17(18)19/h3-9,13,18H,10-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyKPHDCMPPTCWXRQ-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 47043903) is 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is CC(C)OCc1cccc(CNC(=O)C2CC(=O)Nc3cc(F)ccc32)c1.
What is the InChIKey of 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is KPHDCMPPTCWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-13(2)27-12-15-5-3-4-14(8-15)11-23-21(26)18-10-20(25)24-19-9-16(22)6-7-17(18)19/h3-9,13,18H,10-12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 47043903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).