(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H15N3O3 — CID 95133953

IUPAC(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ncccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H15N3O3/c1-22-16-13(7-4-8-17-16)19-15(21)11-9-14(20)18-12-6-3-2-5-10(11)12/h2-8,11H,9H2,1H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyMSXJVZQLARHOKC-NSHDSACASA-N
MW297.31 g/mol
LogP2.15
Rot. Bonds3

About (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 95133953) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID95133953
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1ncccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H15N3O3/c1-22-16-13(7-4-8-17-16)19-15(21)11-9-14(20)18-12-6-3-2-5-10(11)12/h2-8,11H,9H2,1H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyMSXJVZQLARHOKC-NSHDSACASA-N
XLogP2.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 95133953) is (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is COc1ncccc1NC(=O)[C@H]1CC(=O)Nc2ccccc21.
What is the InChIKey of (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is MSXJVZQLARHOKC-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-16-13(7-4-8-17-16)19-15(21)11-9-14(20)18-12-6-3-2-5-10(11)12/h2-8,11H,9H2,1H3,(H,18,20)(H,19,21)/t11-/m0/s1.
What are the key properties of (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-methoxy-3-pyridinyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 95133953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).