7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid

C19H13FN4O4 — CID 19006262

IUPAC7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
SMILESCn1c2ccc(NC(=O)c3ccc(F)cc3)cc2c(=O)n2nc(C(=O)O)cc12
InChIInChI=1S/C19H13FN4O4/c1-23-15-7-6-12(21-17(25)10-2-4-11(20)5-3-10)8-13(15)18(26)24-16(23)9-14(22-24)19(27)28/h2-9H,1H3,(H,21,25)(H,27,28)
InChIKeyICZBUUIGAZYPGJ-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.28
Rot. Bonds3

About 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid

7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid (PubChem CID 19006262) has the molecular formula C19H13FN4O4 and a molecular weight of 380.34 g/mol. Its IUPAC name is 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
PubChem CID19006262
Molecular FormulaC19H13FN4O4
Molecular Weight380.34 g/mol
Exact Mass380.09
IUPAC Name7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
SMILESCn1c2ccc(NC(=O)c3ccc(F)cc3)cc2c(=O)n2nc(C(=O)O)cc12
InChIInChI=1S/C19H13FN4O4/c1-23-15-7-6-12(21-17(25)10-2-4-11(20)5-3-10)8-13(15)18(26)24-16(23)9-14(22-24)19(27)28/h2-9H,1H3,(H,21,25)(H,27,28)
InChIKeyICZBUUIGAZYPGJ-UHFFFAOYSA-N
XLogP2.28
TPSA105.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(4-iodobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid
CID 19006273
methyl 4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylate
CID 12552502
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
8-[(4-nitrobenzoyl)amino]-10-oxopyridazino[6,1-b]quinazoline-2-carboxylic acid
CID 15222894
4-fluoro-N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide
CID 4886121
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
CID 67113503
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]benzamide
CID 1456531
4-[(4-fluorobenzoyl)amino]-2-methoxybenzoic acid
CID 107208628
4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721732

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The IUPAC name of 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid (CID 19006262) is 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid is Cn1c2ccc(NC(=O)c3ccc(F)cc3)cc2c(=O)n2nc(C(=O)O)cc12.
What is the InChIKey of 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid?
The InChIKey is ICZBUUIGAZYPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O4/c1-23-15-7-6-12(21-17(25)10-2-4-11(20)5-3-10)8-13(15)18(26)24-16(23)9-14(22-24)19(27)28/h2-9H,1H3,(H,21,25)(H,27,28).
What are the key properties of 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid?
7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid has a molecular weight of 380.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorobenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 19006262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).