5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide

C14H15N3O2 — CID 82212696

IUPAC5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(C2CC2)c2cccc(N)c2c1=O
InChIInChI=1S/C14H15N3O2/c1-16-14(19)9-7-17(8-5-6-8)11-4-2-3-10(15)12(11)13(9)18/h2-4,7-8H,5-6,15H2,1H3,(H,16,19)
InChIKeyXLEHKKZLKCWWMZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.28
Rot. Bonds2

About 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide

5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 82212696) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
PubChem CID82212696
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
SMILESCNC(=O)c1cn(C2CC2)c2cccc(N)c2c1=O
InChIInChI=1S/C14H15N3O2/c1-16-14(19)9-7-17(8-5-6-8)11-4-2-3-10(15)12(11)13(9)18/h2-4,7-8H,5-6,15H2,1H3,(H,16,19)
InChIKeyXLEHKKZLKCWWMZ-UHFFFAOYSA-N
XLogP1.28
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
5-amino-1-cyclopropyl-N-(2-hydroxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212683
5-amino-1-cyclopentyl-N-cyclopropyl-4-oxoquinoline-3-carboxamide
CID 94947062
5-amino-1-cyclopentyl-N-(2-methylpropyl)-4-oxoquinoline-3-carboxamide
CID 82212580
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
3-[(5-amino-1-cyclopropyl-4-oxoquinoline-3-carbonyl)-methylamino]propanoic acid
CID 82212699
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
1-cyclopropyl-5-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 22154155
5-amino-N-cyclohexyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 94947005
1-cyclopropyl-5-nitro-4-oxoquinoline-3-carboxylic acid
CID 70458154
1-cyclopropyl-4-methylindole-3-carboxylic acid
CID 115029078

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide (CID 82212696) is 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide is CNC(=O)c1cn(C2CC2)c2cccc(N)c2c1=O.
What is the InChIKey of 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is XLEHKKZLKCWWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-16-14(19)9-7-17(8-5-6-8)11-4-2-3-10(15)12(11)13(9)18/h2-4,7-8H,5-6,15H2,1H3,(H,16,19).
What are the key properties of 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide?
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 82212696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).