(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C19H21N3O4 — CID 126450360

IUPAC(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cccc2c1NC(=O)C[C@H]2C(=O)NCCCn1ccccc1=O
InChIInChI=1S/C19H21N3O4/c1-26-15-7-4-6-13-14(12-16(23)21-18(13)15)19(25)20-9-5-11-22-10-3-2-8-17(22)24/h2-4,6-8,10,14H,5,9,11-12H2,1H3,(H,20,25)(H,21,23)/t14-/m1/s1
InChIKeyVXGJWZCILIPMPV-CQSZACIVSA-N
MW355.39 g/mol
LogP1.49
Rot. Bonds6

About (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 126450360) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID126450360
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCOc1cccc2c1NC(=O)C[C@H]2C(=O)NCCCn1ccccc1=O
InChIInChI=1S/C19H21N3O4/c1-26-15-7-4-6-13-14(12-16(23)21-18(13)15)19(25)20-9-5-11-22-10-3-2-8-17(22)24/h2-4,6-8,10,14H,5,9,11-12H2,1H3,(H,20,25)(H,21,23)/t14-/m1/s1
InChIKeyVXGJWZCILIPMPV-CQSZACIVSA-N
XLogP1.49
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 126450360) is (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide is COc1cccc2c1NC(=O)C[C@H]2C(=O)NCCCn1ccccc1=O.
What is the InChIKey of (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is VXGJWZCILIPMPV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-15-7-4-6-13-14(12-16(23)21-18(13)15)19(25)20-9-5-11-22-10-3-2-8-17(22)24/h2-4,6-8,10,14H,5,9,11-12H2,1H3,(H,20,25)(H,21,23)/t14-/m1/s1.
What are the key properties of (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 126450360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).