7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H21FN4O3 — CID 136532609

IUPAC7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)c(F)cc2N1
InChIInChI=1S/C20H21FN4O3/c21-16-11-17-13(4-5-19(26)24-17)10-15(16)20(27)22-12-14-2-1-3-18(23-14)25-6-8-28-9-7-25/h1-3,10-11H,4-9,12H2,(H,22,27)(H,24,26)
InChIKeyQCXCPSKETXVNKW-UHFFFAOYSA-N
MW384.41 g/mol
LogP1.87
Rot. Bonds4

About 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 136532609) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID136532609
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)c(F)cc2N1
InChIInChI=1S/C20H21FN4O3/c21-16-11-17-13(4-5-19(26)24-17)10-15(16)20(27)22-12-14-2-1-3-18(23-14)25-6-8-28-9-7-25/h1-3,10-11H,4-9,12H2,(H,22,27)(H,24,26)
InChIKeyQCXCPSKETXVNKW-UHFFFAOYSA-N
XLogP1.87
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

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Related Compounds

8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136549928
4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 136532888
1,6-dimethyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 136550911
1-(2-methoxyethyl)-6-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 167887604
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 167960615
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136547172
7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 136532576
2-(2-methylpropyl)-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 136532891
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 99585746
3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide
CID 136554218
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 136532609) is 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NCc3cccc(N4CCOCC4)n3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is QCXCPSKETXVNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-16-11-17-13(4-5-19(26)24-17)10-15(16)20(27)22-12-14-2-1-3-18(23-14)25-6-8-28-9-7-25/h1-3,10-11H,4-9,12H2,(H,22,27)(H,24,26).
What are the key properties of 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 136532609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).