4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid

C17H18N4O4 — CID 136949456

IUPAC4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)O
InChIInChI=1S/C17H18N4O4/c1-9(2)7-12(17(24)25)19-16(23)11-8-18-21-13-6-4-3-5-10(13)15(22)20-14(11)21/h3-6,8-9,12H,7H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyLRAYXFLNKXLJOC-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.40
Rot. Bonds5

About 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid

4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid (PubChem CID 136949456) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
PubChem CID136949456
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
SMILESCC(C)CC(NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)O
InChIInChI=1S/C17H18N4O4/c1-9(2)7-12(17(24)25)19-16(23)11-8-18-21-13-6-4-3-5-10(13)15(22)20-14(11)21/h3-6,8-9,12H,7H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyLRAYXFLNKXLJOC-UHFFFAOYSA-N
XLogP1.40
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid
CID 137119720
(2S)-3-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]butanoic acid
CID 137010260
2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136931713
2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 137108636
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136902466
4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
CID 162868036
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137127730
(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136990430
3-(piperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925377
(2S)-4-methyl-2-[[2-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695225
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid (CID 136949456) is 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid is CC(C)CC(NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)O.
What is the InChIKey of 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid?
The InChIKey is LRAYXFLNKXLJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-9(2)7-12(17(24)25)19-16(23)11-8-18-21-13-6-4-3-5-10(13)15(22)20-14(11)21/h3-6,8-9,12H,7H2,1-2H3,(H,19,23)(H,20,22)(H,24,25).
What are the key properties of 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid?
4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid has a molecular weight of 342.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 136949456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).