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

C17H18N4O4 — CID 137108636

IUPAC2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C17H18N4O4/c1-3-10(2)20(9-14(22)23)17(25)12-8-18-21-13-7-5-4-6-11(13)16(24)19-15(12)21/h4-8,10H,3,9H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyDBCOLJWTVUBZFB-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.50
Rot. Bonds5

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

2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid (PubChem CID 137108636) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
PubChem CID137108636
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1cnn2c1[nH]c(=O)c1ccccc12
InChIInChI=1S/C17H18N4O4/c1-3-10(2)20(9-14(22)23)17(25)12-8-18-21-13-7-5-4-6-11(13)16(24)19-15(12)21/h4-8,10H,3,9H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyDBCOLJWTVUBZFB-UHFFFAOYSA-N
XLogP1.50
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136990430
2-[butan-2-yl(pyrazolo[1,5-a]pyridine-3-carbonyl)amino]acetic acid
CID 103826055
N-benzyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 135925373
(2S)-3-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]butanoic acid
CID 137010260
4-methyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]pentanoic acid
CID 136949456
N-[2-(2-methoxyethylamino)ethyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 137049992
3-(azepane-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925375
3-(piperazine-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925377
2-cyclopropyl-2-[(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid
CID 136931713
3-(imidazole-1-carbonyl)-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 135925379
2-[butan-2-yl-[1-(2-methoxyethyl)indole-3-carbonyl]amino]acetic acid
CID 119954915
N-[(2-hydroxycyclopentyl)methyl]-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
CID 136697105

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid (CID 137108636) is 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1cnn2c1[nH]c(=O)c1ccccc12.
What is the InChIKey of 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
The InChIKey is DBCOLJWTVUBZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-3-10(2)20(9-14(22)23)17(25)12-8-18-21-13-7-5-4-6-11(13)16(24)19-15(12)21/h4-8,10H,3,9H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid?
2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid has a molecular weight of 342.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 137108636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).