4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C18H20N2O3 — CID 54725735

IUPAC4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@H](NC(=O)c1c(O)c2c([nH]c1=O)CCCC2)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-11(12-7-3-2-4-8-12)19-17(22)15-16(21)13-9-5-6-10-14(13)20-18(15)23/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,19,22)(H2,20,21,23)/t11-/m0/s1
InChIKeyNDTMLIICLTYYID-NSHDSACASA-N
MW312.37 g/mol
LogP2.45
Rot. Bonds3

About 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 54725735) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID54725735
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESC[C@H](NC(=O)c1c(O)c2c([nH]c1=O)CCCC2)c1ccccc1
InChIInChI=1S/C18H20N2O3/c1-11(12-7-3-2-4-8-12)19-17(22)15-16(21)13-9-5-6-10-14(13)20-18(15)23/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,19,22)(H2,20,21,23)/t11-/m0/s1
InChIKeyNDTMLIICLTYYID-NSHDSACASA-N
XLogP2.45
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide with MolForge

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Related Compounds

4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
N-[(1S)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 118425243
diethyl-[(4R)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]azanium
CID 54720061
diethyl-[(4S)-4-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]pentyl]-methylazanium
CID 54712098
ethyl-[2-[(4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 54711894
N-[(2-fluorophenyl)methylideneamino]-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54684843
4-hydroxy-2-oxo-N-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54684650
4-hydroxy-N-(4-methyl-2-pyridinyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54679426
methyl 4-hydroxy-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxylate
CID 70278471
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54706358
6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 11983110
N-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 20881847

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 54725735) is 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is C[C@H](NC(=O)c1c(O)c2c([nH]c1=O)CCCC2)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is NDTMLIICLTYYID-NSHDSACASA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(12-7-3-2-4-8-12)19-17(22)15-16(21)13-9-5-6-10-14(13)20-18(15)23/h2-4,7-8,11H,5-6,9-10H2,1H3,(H,19,22)(H2,20,21,23)/t11-/m0/s1.
What are the key properties of 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54725735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).