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

C19H19N7O2 — CID 46887188

IUPAC8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)Nc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C19H19N7O2/c1-10(27)22-13-5-3-4-6-14(13)23-19-21-9-11-7-8-12-16(18(20)28)25-26(2)17(12)15(11)24-19/h3-6,9H,7-8H2,1-2H3,(H2,20,28)(H,22,27)(H,21,23,24)
InChIKeyKNXOPPMRMUDBIP-UHFFFAOYSA-N
MW377.41 g/mol
LogP1.78
Rot. Bonds4

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

8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46887188) has the molecular formula C19H19N7O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46887188
Molecular FormulaC19H19N7O2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)Nc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C19H19N7O2/c1-10(27)22-13-5-3-4-6-14(13)23-19-21-9-11-7-8-12-16(18(20)28)25-26(2)17(12)15(11)24-19/h3-6,9H,7-8H2,1-2H3,(H2,20,28)(H,22,27)(H,21,23,24)
InChIKeyKNXOPPMRMUDBIP-UHFFFAOYSA-N
XLogP1.78
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46887188) is 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CC(=O)Nc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2.
What is the InChIKey of 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is KNXOPPMRMUDBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2/c1-10(27)22-13-5-3-4-6-14(13)23-19-21-9-11-7-8-12-16(18(20)28)25-26(2)17(12)15(11)24-19/h3-6,9H,7-8H2,1-2H3,(H2,20,28)(H,22,27)(H,21,23,24).
What are the key properties of 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-acetamidoanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46887188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).