8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

C23H19N5O2 — CID 136928093

IUPAC8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCc1ccc(N)cc1-2
InChIInChI=1S/C23H19N5O2/c24-16-9-6-15-13-26-23-20(22(25)29)21(27-28(23)19(15)12-16)14-7-10-18(11-8-14)30-17-4-2-1-3-5-17/h1-12,26H,13,24H2,(H2,25,29)
InChIKeyOBXNAGALMBQRHY-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.94
Rot. Bonds4

About 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide

8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (PubChem CID 136928093) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
PubChem CID136928093
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCc1ccc(N)cc1-2
InChIInChI=1S/C23H19N5O2/c24-16-9-6-15-13-26-23-20(22(25)29)21(27-28(23)19(15)12-16)14-7-10-18(11-8-14)30-17-4-2-1-3-5-17/h1-12,26H,13,24H2,(H2,25,29)
InChIKeyOBXNAGALMBQRHY-UHFFFAOYSA-N
XLogP3.94
TPSA108.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.94
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 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The IUPAC name of 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide (CID 136928093) is 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide.
What is the SMILES notation for 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The canonical SMILES for 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCc1ccc(N)cc1-2.
What is the InChIKey of 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
The InChIKey is OBXNAGALMBQRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c24-16-9-6-15-13-26-23-20(22(25)29)21(27-28(23)19(15)12-16)14-7-10-18(11-8-14)30-17-4-2-1-3-5-17/h1-12,26H,13,24H2,(H2,25,29).
What are the key properties of 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide?
8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(4-phenoxyphenyl)-4,5-dihydropyrazolo[1,5-a]quinazoline-3-carboxamide is sourced from PubChem (CID 136928093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).