N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C18H22N4O2 — CID 126767321

IUPACN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1nccn1CC(C)CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H22N4O2/c1-12(11-22-8-7-19-13(22)2)10-20-18(24)15-3-5-16-14(9-15)4-6-17(23)21-16/h3,5,7-9,12H,4,6,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeySGHATWGOXABYOK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.14
Rot. Bonds5

About N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 126767321) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID126767321
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1nccn1CC(C)CNC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C18H22N4O2/c1-12(11-22-8-7-19-13(22)2)10-20-18(24)15-3-5-16-14(9-15)4-6-17(23)21-16/h3,5,7-9,12H,4,6,10-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeySGHATWGOXABYOK-UHFFFAOYSA-N
XLogP2.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 126767321) is N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is Cc1nccn1CC(C)CNC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is SGHATWGOXABYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(11-22-8-7-19-13(22)2)10-20-18(24)15-3-5-16-14(9-15)4-6-17(23)21-16/h3,5,7-9,12H,4,6,10-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 126767321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).