7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

C23H17N5O3 — CID 136928061

IUPAC7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c(=O)c1cc(N)ccc12
InChIInChI=1S/C23H17N5O3/c24-14-8-11-18-17(12-14)23(30)26-22-19(21(25)29)20(27-28(18)22)13-6-9-16(10-7-13)31-15-4-2-1-3-5-15/h1-12H,24H2,(H2,25,29)(H,26,30)
InChIKeyJEHLFDYRJAKFNT-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.32
Rot. Bonds4

About 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide

7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 136928061) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID136928061
Molecular FormulaC23H17N5O3
Molecular Weight411.42 g/mol
Exact Mass411.13
IUPAC Name7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c(=O)c1cc(N)ccc12
InChIInChI=1S/C23H17N5O3/c24-14-8-11-18-17(12-14)23(30)26-22-19(21(25)29)20(27-28(18)22)13-6-9-16(10-7-13)31-15-4-2-1-3-5-15/h1-12H,24H2,(H2,25,29)(H,26,30)
InChIKeyJEHLFDYRJAKFNT-UHFFFAOYSA-N
XLogP3.32
TPSA128.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide (CID 136928061) is 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1[nH]c(=O)c1cc(N)ccc12.
What is the InChIKey of 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is JEHLFDYRJAKFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c24-14-8-11-18-17(12-14)23(30)26-22-19(21(25)29)20(27-28(18)22)13-6-9-16(10-7-13)31-15-4-2-1-3-5-15/h1-12H,24H2,(H2,25,29)(H,26,30).
What are the key properties of 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide?
7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-oxo-2-(4-phenoxyphenyl)-4H-pyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 136928061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).