4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide

C14H17N3O2 — CID 11666066

IUPAC4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-8(2)7-16-13(18)11-12(15)9-5-3-4-6-10(9)17-14(11)19/h3-6,8H,7H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyFYRVJRRADSNWDT-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds3

About 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide

4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 11666066) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID11666066
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-8(2)7-16-13(18)11-12(15)9-5-3-4-6-10(9)17-14(11)19/h3-6,8H,7H2,1-2H3,(H,16,18)(H3,15,17,19)
InChIKeyFYRVJRRADSNWDT-UHFFFAOYSA-N
XLogP1.50
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide (CID 11666066) is 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide is CC(C)CNC(=O)c1c(N)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FYRVJRRADSNWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8(2)7-16-13(18)11-12(15)9-5-3-4-6-10(9)17-14(11)19/h3-6,8H,7H2,1-2H3,(H,16,18)(H3,15,17,19).
What are the key properties of 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide?
4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11666066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).