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

C17H18N4O4 — CID 137119720

IUPAC2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)O
InChIInChI=1S/C17H18N4O4/c1-2-3-7-12(17(24)25)19-16(23)11-9-18-21-13-8-5-4-6-10(13)15(22)20-14(11)21/h4-6,8-9,12H,2-3,7H2,1H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyFBNLDKQPDIUWJK-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.55
Rot. Bonds6

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

2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid (PubChem CID 137119720) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid
PubChem CID137119720
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)O
InChIInChI=1S/C17H18N4O4/c1-2-3-7-12(17(24)25)19-16(23)11-9-18-21-13-8-5-4-6-10(13)15(22)20-14(11)21/h4-6,8-9,12H,2-3,7H2,1H3,(H,19,23)(H,20,22)(H,24,25)
InChIKeyFBNLDKQPDIUWJK-UHFFFAOYSA-N
XLogP1.55
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
CID 136949456
(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
(2S)-2-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 120615270
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136902466
(2S)-2-[[2-(methanesulfonamido)benzoyl]amino]hexanoic acid
CID 120615522
5-oxo-N-[(3S)-piperidin-3-yl]-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137127730
(2S)-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]hexanoic acid
CID 120615508
(2S)-2-[[2-(9-oxoacridin-10-yl)acetyl]amino]hexanoic acid
CID 40637276
2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136990430
4-methoxy-1-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 137126613
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid (CID 137119720) is 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)c1cnn2c1[nH]c(=O)c1ccccc12)C(=O)O.
What is the InChIKey of 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid?
The InChIKey is FBNLDKQPDIUWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-2-3-7-12(17(24)25)19-16(23)11-9-18-21-13-8-5-4-6-10(13)15(22)20-14(11)21/h4-6,8-9,12H,2-3,7H2,1H3,(H,19,23)(H,20,22)(H,24,25).
What are the key properties of 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid?
2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid has a molecular weight of 342.36 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 137119720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).