(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

C24H25N3O3 — CID 7429675

IUPAC(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCCOc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)C32)cc1
InChIInChI=1S/C24H25N3O3/c1-3-30-18-11-9-16(10-12-18)22-21(24(29)27-17-6-5-13-25-14-17)15(2)26-19-7-4-8-20(28)23(19)22/h5-6,9-14,22-23H,3-4,7-8H2,1-2H3,(H,27,29)/t22-,23?/m1/s1
InChIKeyNRJKZVWHODUNKL-WTQRLHSKSA-N
MW403.48 g/mol
LogP4.30
Rot. Bonds5

About (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide

(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (PubChem CID 7429675) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.

Molecular Properties

Compound Name(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
PubChem CID7429675
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
SMILESCCOc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)C32)cc1
InChIInChI=1S/C24H25N3O3/c1-3-30-18-11-9-16(10-12-18)22-21(24(29)27-17-6-5-13-25-14-17)15(2)26-19-7-4-8-20(28)23(19)22/h5-6,9-14,22-23H,3-4,7-8H2,1-2H3,(H,27,29)/t22-,23?/m1/s1
InChIKeyNRJKZVWHODUNKL-WTQRLHSKSA-N
XLogP4.30
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide with MolForge

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Related Compounds

(4R)-4-(4-ethylphenyl)-N-(4-fluorophenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7307776
(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 1309011
(4R,4aS)-4-(4-fluorophenyl)-2-methyl-N-(3-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 11896252
(4R)-2-methyl-4-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide
CID 7499749
ethyl (4R,4aR)-2-methyl-4-(4-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 7318493
12-(4-ethoxyphenyl)-9,10,11a,12-tetrahydro-8H-benzo[b][4,7]phenanthrolin-11-one
CID 91898027
ethyl (4R)-4-(4-ethoxy-3-methoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 6981903
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
prop-2-enyl (4R)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 7089067
2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)-5-methyl-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135768971
7-(4-ethoxyphenyl)-5-methyl-2-(4-methylphenyl)-N-pyridin-3-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135553777
cyclohexyl (4R)-4-(2-ethoxyphenyl)-2-methyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate
CID 6967770

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The IUPAC name of (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide (CID 7429675) is (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide.
What is the SMILES notation for (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The canonical SMILES for (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is CCOc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)N=C3CCCC(=O)C32)cc1.
What is the InChIKey of (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
The InChIKey is NRJKZVWHODUNKL-WTQRLHSKSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-30-18-11-9-16(10-12-18)22-21(24(29)27-17-6-5-13-25-14-17)15(2)26-19-7-4-8-20(28)23(19)22/h5-6,9-14,22-23H,3-4,7-8H2,1-2H3,(H,27,29)/t22-,23?/m1/s1.
What are the key properties of (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide?
(4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-N-pyridin-3-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxamide is sourced from PubChem (CID 7429675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).