8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C20H21N7O2 — CID 45141802

IUPAC8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)Nc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
InChIInChI=1S/C20H21N7O2/c1-11(28)24-14-6-3-12(4-7-14)9-22-20-23-10-13-5-8-15-17(19(21)29)26-27(2)18(15)16(13)25-20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,21,29)(H,24,28)(H,22,23,25)
InChIKeyZUSSYTUFZXQWGO-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.65
Rot. Bonds5

About 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45141802) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45141802
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)Nc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
InChIInChI=1S/C20H21N7O2/c1-11(28)24-14-6-3-12(4-7-14)9-22-20-23-10-13-5-8-15-17(19(21)29)26-27(2)18(15)16(13)25-20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,21,29)(H,24,28)(H,22,23,25)
InChIKeyZUSSYTUFZXQWGO-UHFFFAOYSA-N
XLogP1.65
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45141802) is 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CC(=O)Nc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1.
What is the InChIKey of 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is ZUSSYTUFZXQWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-11(28)24-14-6-3-12(4-7-14)9-22-20-23-10-13-5-8-15-17(19(21)29)26-27(2)18(15)16(13)25-20/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,21,29)(H,24,28)(H,22,23,25).
What are the key properties of 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-acetamidophenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45141802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).