1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid

C14H9N5O3 — CID 135860558

IUPAC1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc3ccc4[nH]ccc4c3c(=O)[nH]2)c1
InChIInChI=1S/C14H9N5O3/c20-12-11-8-3-4-15-9(8)1-2-10(11)17-14(18-12)19-6-7(5-16-19)13(21)22/h1-6,15H,(H,21,22)(H,17,18,20)
InChIKeyZTCVZWCORDOZQV-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.29
Rot. Bonds2

About 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid

1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid (PubChem CID 135860558) has the molecular formula C14H9N5O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid
PubChem CID135860558
Molecular FormulaC14H9N5O3
Molecular Weight295.26 g/mol
Exact Mass295.07
IUPAC Name1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc3ccc4[nH]ccc4c3c(=O)[nH]2)c1
InChIInChI=1S/C14H9N5O3/c20-12-11-8-3-4-15-9(8)1-2-10(11)17-14(18-12)19-6-7(5-16-19)13(21)22/h1-6,15H,(H,21,22)(H,17,18,20)
InChIKeyZTCVZWCORDOZQV-UHFFFAOYSA-N
XLogP1.29
TPSA116.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid (CID 135860558) is 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc3ccc4[nH]ccc4c3c(=O)[nH]2)c1.
What is the InChIKey of 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid?
The InChIKey is ZTCVZWCORDOZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5O3/c20-12-11-8-3-4-15-9(8)1-2-10(11)17-14(18-12)19-6-7(5-16-19)13(21)22/h1-6,15H,(H,21,22)(H,17,18,20).
What are the key properties of 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid?
1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid has a molecular weight of 295.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-2,7-dihydropyrrolo[3,2-f]quinazolin-3-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 135860558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).