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

C18H14ClN5O2 — CID 46696341

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2N1
InChIInChI=1S/C18H14ClN5O2/c19-11-5-6-16(24-10-20-9-21-24)15(7-11)23-18(26)13-8-17(25)22-14-4-2-1-3-12(13)14/h1-7,9-10,13H,8H2,(H,22,25)(H,23,26)
InChIKeyWPHKBDWLXGIAPM-UHFFFAOYSA-N
MW367.80 g/mol
LogP2.99
Rot. Bonds3

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

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 46696341) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID46696341
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2N1
InChIInChI=1S/C18H14ClN5O2/c19-11-5-6-16(24-10-20-9-21-24)15(7-11)23-18(26)13-8-17(25)22-14-4-2-1-3-12(13)14/h1-7,9-10,13H,8H2,(H,22,25)(H,23,26)
InChIKeyWPHKBDWLXGIAPM-UHFFFAOYSA-N
XLogP2.99
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 46696341) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2N1.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is WPHKBDWLXGIAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c19-11-5-6-16(24-10-20-9-21-24)15(7-11)23-18(26)13-8-17(25)22-14-4-2-1-3-12(13)14/h1-7,9-10,13H,8H2,(H,22,25)(H,23,26).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 367.80 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46696341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).