(4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C16H13N5O3 — CID 95770781

IUPAC(4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2n[nH]c(-c3ccoc3)n2)c2ccccc2N1
InChIInChI=1S/C16H13N5O3/c22-13-7-11(10-3-1-2-4-12(10)17-13)15(23)19-16-18-14(20-21-16)9-5-6-24-8-9/h1-6,8,11H,7H2,(H,17,22)(H2,18,19,20,21,23)/t11-/m1/s1
InChIKeyUQMDNWYOBKKAMK-LLVKDONJSA-N
MW323.31 g/mol
LogP2.13
Rot. Bonds3

About (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 95770781) has the molecular formula C16H13N5O3 and a molecular weight of 323.31 g/mol. Its IUPAC name is (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID95770781
Molecular FormulaC16H13N5O3
Molecular Weight323.31 g/mol
Exact Mass323.10
IUPAC Name(4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2n[nH]c(-c3ccoc3)n2)c2ccccc2N1
InChIInChI=1S/C16H13N5O3/c22-13-7-11(10-3-1-2-4-12(10)17-13)15(23)19-16-18-14(20-21-16)9-5-6-24-8-9/h1-6,8,11H,7H2,(H,17,22)(H2,18,19,20,21,23)/t11-/m1/s1
InChIKeyUQMDNWYOBKKAMK-LLVKDONJSA-N
XLogP2.13
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 95770781) is (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)Nc2n[nH]c(-c3ccoc3)n2)c2ccccc2N1.
What is the InChIKey of (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is UQMDNWYOBKKAMK-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13N5O3/c22-13-7-11(10-3-1-2-4-12(10)17-13)15(23)19-16-18-14(20-21-16)9-5-6-24-8-9/h1-6,8,11H,7H2,(H,17,22)(H2,18,19,20,21,23)/t11-/m1/s1.
What are the key properties of (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 323.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[5-(furan-3-yl)-1H-1,2,4-triazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 95770781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).