1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide

C15H13ClN4O2 — CID 135354693

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1
InChIInChI=1S/C15H13ClN4O2/c16-11-4-10-3-9(1-2-12(10)18-5-11)6-20-7-13(15(17)22)19-14(20)8-21/h1-5,7,21H,6,8H2,(H2,17,22)
InChIKeyOYCXVVYYKANCGH-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.72
Rot. Bonds4

About 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide

1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide (PubChem CID 135354693) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
PubChem CID135354693
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide
SMILESNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1
InChIInChI=1S/C15H13ClN4O2/c16-11-4-10-3-9(1-2-12(10)18-5-11)6-20-7-13(15(17)22)19-14(20)8-21/h1-5,7,21H,6,8H2,(H2,17,22)
InChIKeyOYCXVVYYKANCGH-UHFFFAOYSA-N
XLogP1.72
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide (CID 135354693) is 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide is NC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CO)n1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?
The InChIKey is OYCXVVYYKANCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-11-4-10-3-9(1-2-12(10)18-5-11)6-20-7-13(15(17)22)19-14(20)8-21/h1-5,7,21H,6,8H2,(H2,17,22).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide?
1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-2-(hydroxymethyl)imidazole-4-carboxamide is sourced from PubChem (CID 135354693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).