8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

C15H13ClN4O2 — CID 91639778

IUPAC8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1c[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C15H13ClN4O2/c16-12-3-1-2-10-13(12)19-7-11(14(10)21)15(22)18-5-4-9-6-17-8-20-9/h1-3,6-8H,4-5H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyJPQBOVWDGRXOSQ-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.88
Rot. Bonds4

About 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide

8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 91639778) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID91639778
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1c[nH]c2c(Cl)cccc2c1=O
InChIInChI=1S/C15H13ClN4O2/c16-12-3-1-2-10-13(12)19-7-11(14(10)21)15(22)18-5-4-9-6-17-8-20-9/h1-3,6-8H,4-5H2,(H,17,20)(H,18,22)(H,19,21)
InChIKeyJPQBOVWDGRXOSQ-UHFFFAOYSA-N
XLogP1.88
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 91639778) is 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is O=C(NCCc1cnc[nH]1)c1c[nH]c2c(Cl)cccc2c1=O.
What is the InChIKey of 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is JPQBOVWDGRXOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-12-3-1-2-10-13(12)19-7-11(14(10)21)15(22)18-5-4-9-6-17-8-20-9/h1-3,6-8H,4-5H2,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide?
8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 91639778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).