8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C25H24N6O — CID 56676833

IUPAC8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C25H24N6O/c1-31-23-20(22(30-31)24(32)26-15-14-17-8-4-2-5-9-17)13-12-18-16-27-25(29-21(18)23)28-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,32)(H,27,28,29)
InChIKeyAOWRNBGAGSLHKJ-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.69
Rot. Bonds6

About 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 56676833) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID56676833
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)NCCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C25H24N6O/c1-31-23-20(22(30-31)24(32)26-15-14-17-8-4-2-5-9-17)13-12-18-16-27-25(29-21(18)23)28-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,32)(H,27,28,29)
InChIKeyAOWRNBGAGSLHKJ-UHFFFAOYSA-N
XLogP3.69
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 56676833) is 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2.
What is the InChIKey of 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is AOWRNBGAGSLHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-31-23-20(22(30-31)24(32)26-15-14-17-8-4-2-5-9-17)13-12-18-16-27-25(29-21(18)23)28-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,32)(H,27,28,29).
What are the key properties of 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-1-methyl-N-(2-phenylethyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 56676833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).