4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide

C14H15N3O2 — CID 176988561

IUPAC4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c(N)c2ccc(C3CCC3)cc2[nH]c1=O
InChIInChI=1S/C14H15N3O2/c15-12-9-5-4-8(7-2-1-3-7)6-10(9)17-14(19)11(12)13(16)18/h4-7H,1-3H2,(H2,16,18)(H3,15,17,19)
InChIKeyZMPZCYXXIMFDJW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.48
Rot. Bonds2

About 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide

4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 176988561) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID176988561
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide
SMILESNC(=O)c1c(N)c2ccc(C3CCC3)cc2[nH]c1=O
InChIInChI=1S/C14H15N3O2/c15-12-9-5-4-8(7-2-1-3-7)6-10(9)17-14(19)11(12)13(16)18/h4-7H,1-3H2,(H2,16,18)(H3,15,17,19)
InChIKeyZMPZCYXXIMFDJW-UHFFFAOYSA-N
XLogP1.48
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide (CID 176988561) is 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide is NC(=O)c1c(N)c2ccc(C3CCC3)cc2[nH]c1=O.
What is the InChIKey of 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZMPZCYXXIMFDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-12-9-5-4-8(7-2-1-3-7)6-10(9)17-14(19)11(12)13(16)18/h4-7H,1-3H2,(H2,16,18)(H3,15,17,19).
What are the key properties of 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide?
4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-cyclobutyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 176988561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).