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

C15H19N3O2 — CID 11536376

IUPAC4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-9(2)7-8-17-14(19)12-13(16)10-5-3-4-6-11(10)18-15(12)20/h3-6,9H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyLNWWSGIPDLIKBB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.89
Rot. Bonds4

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

4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 11536376) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID11536376
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(C)CCNC(=O)c1c(N)c2ccccc2[nH]c1=O
InChIInChI=1S/C15H19N3O2/c1-9(2)7-8-17-14(19)12-13(16)10-5-3-4-6-11(10)18-15(12)20/h3-6,9H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20)
InChIKeyLNWWSGIPDLIKBB-UHFFFAOYSA-N
XLogP1.89
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide (CID 11536376) is 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide is CC(C)CCNC(=O)c1c(N)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LNWWSGIPDLIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)7-8-17-14(19)12-13(16)10-5-3-4-6-11(10)18-15(12)20/h3-6,9H,7-8H2,1-2H3,(H,17,19)(H3,16,18,20).
What are the key properties of 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide?
4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11536376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).