5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide

C14H17N3O2 — CID 82212481

IUPAC5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1cc(C(=O)NC)c(=O)c2c(N)cccc21
InChIInChI=1S/C14H17N3O2/c1-3-7-17-8-9(14(19)16-2)13(18)12-10(15)5-4-6-11(12)17/h4-6,8H,3,7,15H2,1-2H3,(H,16,19)
InChIKeyCLCZTAMBMAIJKE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.35
Rot. Bonds3

About 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide

5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide (PubChem CID 82212481) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
PubChem CID82212481
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
SMILESCCCn1cc(C(=O)NC)c(=O)c2c(N)cccc21
InChIInChI=1S/C14H17N3O2/c1-3-7-17-8-9(14(19)16-2)13(18)12-10(15)5-4-6-11(12)17/h4-6,8H,3,7,15H2,1-2H3,(H,16,19)
InChIKeyCLCZTAMBMAIJKE-UHFFFAOYSA-N
XLogP1.35
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.35
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-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
CID 82212467
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-1-cyclopropyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212696
5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
CID 82212559
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
5-amino-1-cyclopentyl-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212585
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
5-amino-1-(2-methoxyethyl)-4-oxo-N-prop-2-enylquinoline-3-carboxamide
CID 82212612

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide (CID 82212481) is 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide is CCCn1cc(C(=O)NC)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide?
The InChIKey is CLCZTAMBMAIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-7-17-8-9(14(19)16-2)13(18)12-10(15)5-4-6-11(12)17/h4-6,8H,3,7,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide?
5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide is sourced from PubChem (CID 82212481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).