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

C18H18N6O — CID 24992861

IUPAC1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
InChIKeyOXPLZKSKLWBEIM-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.13
Rot. Bonds3

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

1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 24992861) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID24992861
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
InChIKeyOXPLZKSKLWBEIM-UHFFFAOYSA-N
XLogP2.13
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 24992861) is 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2.
What is the InChIKey of 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is OXPLZKSKLWBEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22).
What are the key properties of 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methylanilino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 24992861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).