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

C19H19N3O2 — CID 66675476

IUPACN-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1N
InChIInChI=1S/C19H19N3O2/c1-2-5-12-8-9-13(10-16(12)20)22-19(24)15-11-21-17-7-4-3-6-14(17)18(15)23/h3-4,6-11H,2,5,20H2,1H3,(H,21,23)(H,22,24)
InChIKeySYANLUXORNMLEW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.32
Rot. Bonds4

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

N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 66675476) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID66675476
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1N
InChIInChI=1S/C19H19N3O2/c1-2-5-12-8-9-13(10-16(12)20)22-19(24)15-11-21-17-7-4-3-6-14(17)18(15)23/h3-4,6-11H,2,5,20H2,1H3,(H,21,23)(H,22,24)
InChIKeySYANLUXORNMLEW-UHFFFAOYSA-N
XLogP3.32
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 66675476) is N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide is CCCc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1N.
What is the InChIKey of N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is SYANLUXORNMLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-5-12-8-9-13(10-16(12)20)22-19(24)15-11-21-17-7-4-3-6-14(17)18(15)23/h3-4,6-11H,2,5,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-propylphenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66675476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).