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

C22H24FN3O3 — CID 31615064

IUPAC(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)c2ccc(F)cc2N1
InChIInChI=1S/C22H24FN3O3/c23-17-5-6-18-19(12-21(27)25-20(18)11-17)22(28)24-13-15-1-3-16(4-2-15)14-26-7-9-29-10-8-26/h1-6,11,19H,7-10,12-14H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyQFPVRPCNLPFOBU-LJQANCHMSA-N
MW397.45 g/mol
LogP2.40
Rot. Bonds5

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

(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 31615064) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID31615064
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)c2ccc(F)cc2N1
InChIInChI=1S/C22H24FN3O3/c23-17-5-6-18-19(12-21(27)25-20(18)11-17)22(28)24-13-15-1-3-16(4-2-15)14-26-7-9-29-10-8-26/h1-6,11,19H,7-10,12-14H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyQFPVRPCNLPFOBU-LJQANCHMSA-N
XLogP2.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 31615064) is (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)NCc2ccc(CN3CCOCC3)cc2)c2ccc(F)cc2N1.
What is the InChIKey of (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is QFPVRPCNLPFOBU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24FN3O3/c23-17-5-6-18-19(12-21(27)25-20(18)11-17)22(28)24-13-15-1-3-16(4-2-15)14-26-7-9-29-10-8-26/h1-6,11,19H,7-10,12-14H2,(H,24,28)(H,25,27)/t19-/m1/s1.
What are the key properties of (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 31615064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).