(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

C24H24FN3O2 — CID 7425760

IUPAC(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)C[C@H](C)C2)[C@@H](c2cccc(F)c2)C1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C24H24FN3O2/c1-13-7-8-20(26-12-13)28-24(30)21-15(3)27-18-9-14(2)10-19(29)23(18)22(21)16-5-4-6-17(25)11-16/h4-8,11-12,14,21-22H,9-10H2,1-3H3,(H,26,28,30)/t14-,21?,22+/m1/s1
InChIKeyBUYHFUDLDYYCHT-ILYAKVQUSA-N
MW405.47 g/mol
LogP4.60
Rot. Bonds3

About (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide

(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (PubChem CID 7425760) has the molecular formula C24H24FN3O2 and a molecular weight of 405.47 g/mol. Its IUPAC name is (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
PubChem CID7425760
Molecular FormulaC24H24FN3O2
Molecular Weight405.47 g/mol
Exact Mass405.19
IUPAC Name(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
SMILESCC1=NC2=C(C(=O)C[C@H](C)C2)[C@@H](c2cccc(F)c2)C1C(=O)Nc1ccc(C)cn1
InChIInChI=1S/C24H24FN3O2/c1-13-7-8-20(26-12-13)28-24(30)21-15(3)27-18-9-14(2)10-19(29)23(18)22(21)16-5-4-6-17(25)11-16/h4-8,11-12,14,21-22H,9-10H2,1-3H3,(H,26,28,30)/t14-,21?,22+/m1/s1
InChIKeyBUYHFUDLDYYCHT-ILYAKVQUSA-N
XLogP4.60
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide with MolForge

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Related Compounds

(4R,7S)-4-(3-fluorophenyl)-2,7-dimethyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7425758
(4R)-4-(1,3-benzodioxol-5-yl)-2-methyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7494591
(4S,7S)-4-(4-chlorophenyl)-N-(2,6-difluorophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide
CID 7307738
(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 51408287
3-(3-fluorophenyl)-N-(5-methyl-2-pyridinyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 47028518
(4R,7S)-4-(3-fluorophenyl)-2,7-dimethyl-5-oxo-N-pyridin-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7425752
prop-2-enyl (4R)-4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7014334
(4S,4aR,7R)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11899724
2-ethoxyethyl (4R)-4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7312921
2-phenylethyl (4R,7R)-7-(3,4-dimethoxyphenyl)-4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7894725
(4S)-2,7,7-trimethyl-4-(2-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxamide
CID 7309170
2-ethylsulfanylethyl (4R)-4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7272494

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The IUPAC name of (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide (CID 7425760) is (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide.
What is the SMILES notation for (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The canonical SMILES for (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is CC1=NC2=C(C(=O)C[C@H](C)C2)[C@@H](c2cccc(F)c2)C1C(=O)Nc1ccc(C)cn1.
What is the InChIKey of (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
The InChIKey is BUYHFUDLDYYCHT-ILYAKVQUSA-N. The full InChI is InChI=1S/C24H24FN3O2/c1-13-7-8-20(26-12-13)28-24(30)21-15(3)27-18-9-14(2)10-19(29)23(18)22(21)16-5-4-6-17(25)11-16/h4-8,11-12,14,21-22H,9-10H2,1-3H3,(H,26,28,30)/t14-,21?,22+/m1/s1.
What are the key properties of (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide?
(4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide has a molecular weight of 405.47 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-4-(3-fluorophenyl)-2,7-dimethyl-N-(5-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxamide is sourced from PubChem (CID 7425760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).