1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid

C17H13N3O4 — CID 174532548

IUPAC1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccnc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)c1
InChIInChI=1S/C17H13N3O4/c1-10-6-7-18-14(8-10)19-17(24)20-9-12(16(22)23)15(21)11-4-2-3-5-13(11)20/h2-9H,1H3,(H,22,23)(H,18,19,24)
InChIKeyMJHSVGIVWQMRTE-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.48
Rot. Bonds2

About 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid

1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 174532548) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID174532548
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid
SMILESCc1ccnc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)c1
InChIInChI=1S/C17H13N3O4/c1-10-6-7-18-14(8-10)19-17(24)20-9-12(16(22)23)15(21)11-4-2-3-5-13(11)20/h2-9H,1H3,(H,22,23)(H,18,19,24)
InChIKeyMJHSVGIVWQMRTE-UHFFFAOYSA-N
XLogP2.48
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid (CID 174532548) is 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid is Cc1ccnc(NC(=O)n2cc(C(=O)O)c(=O)c3ccccc32)c1.
What is the InChIKey of 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MJHSVGIVWQMRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c1-10-6-7-18-14(8-10)19-17(24)20-9-12(16(22)23)15(21)11-4-2-3-5-13(11)20/h2-9H,1H3,(H,22,23)(H,18,19,24).
What are the key properties of 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid?
1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 323.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-2-pyridinyl)carbamoyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 174532548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).