2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid

C15H17N3O4 — CID 82212467

IUPAC2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
SMILESCCCn1cc(C(=O)NCC(=O)O)c(=O)c2c(N)cccc21
InChIInChI=1S/C15H17N3O4/c1-2-6-18-8-9(15(22)17-7-12(19)20)14(21)13-10(16)4-3-5-11(13)18/h3-5,8H,2,6-7,16H2,1H3,(H,17,22)(H,19,20)
InChIKeyIVNZBTFCFNVCGV-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.81
Rot. Bonds5

About 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid

2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid (PubChem CID 82212467) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
PubChem CID82212467
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid
SMILESCCCn1cc(C(=O)NCC(=O)O)c(=O)c2c(N)cccc21
InChIInChI=1S/C15H17N3O4/c1-2-6-18-8-9(15(22)17-7-12(19)20)14(21)13-10(16)4-3-5-11(13)18/h3-5,8H,2,6-7,16H2,1H3,(H,17,22)(H,19,20)
InChIKeyIVNZBTFCFNVCGV-UHFFFAOYSA-N
XLogP0.81
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-methyl-4-oxo-1-propylquinoline-3-carboxamide
CID 82212481
5-amino-N,1-diethyl-4-oxoquinoline-3-carboxamide
CID 82212545
5-amino-4-oxo-1-pentyl-N-prop-2-enylquinoline-3-carboxamide
CID 94947045
5-amino-N-butyl-1-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 94947111
5-amino-N-ethyl-1-(3-methoxypropyl)-4-oxoquinoline-3-carboxamide
CID 82212450
5-amino-1-ethyl-N-(3-methylbutyl)-4-oxoquinoline-3-carboxamide
CID 82212557
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
5-amino-1-[2-(dimethylamino)ethyl]-N-methyl-4-oxoquinoline-3-carboxamide
CID 82212672
5-amino-1-ethyl-N-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide
CID 82212559
2-[(5-amino-1-methyl-4-oxoquinoline-3-carbonyl)amino]butanoic acid
CID 82212661
5-amino-1-[3-(dimethylamino)propyl]-N,N-dimethyl-4-oxoquinoline-3-carboxamide
CID 94947311

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid (CID 82212467) is 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid is CCCn1cc(C(=O)NCC(=O)O)c(=O)c2c(N)cccc21.
What is the InChIKey of 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid?
The InChIKey is IVNZBTFCFNVCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-6-18-8-9(15(22)17-7-12(19)20)14(21)13-10(16)4-3-5-11(13)18/h3-5,8H,2,6-7,16H2,1H3,(H,17,22)(H,19,20).
What are the key properties of 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid?
2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid has a molecular weight of 303.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-oxo-1-propylquinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 82212467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).