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

C18H19N7O — CID 24992862

IUPAC1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCNc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C18H19N7O/c1-20-12-5-3-4-6-13(12)22-18-21-9-10-7-8-11-15(17(19)26)24-25(2)16(11)14(10)23-18/h3-6,9,20H,7-8H2,1-2H3,(H2,19,26)(H,21,22,23)
InChIKeyQXAKKDDDYAESLJ-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.86
Rot. Bonds4

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

1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 24992862) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID24992862
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCNc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C18H19N7O/c1-20-12-5-3-4-6-13(12)22-18-21-9-10-7-8-11-15(17(19)26)24-25(2)16(11)14(10)23-18/h3-6,9,20H,7-8H2,1-2H3,(H2,19,26)(H,21,22,23)
InChIKeyQXAKKDDDYAESLJ-UHFFFAOYSA-N
XLogP1.86
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N,1,4,4-Tetramethyl-8-((4-(4-methylpiperazin-1-yl)phenyl)amino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide
CID 16718576
1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxylic acid
CID 44129603
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 22
CID 44235885
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 24
CID 44235886
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
CID 11486283
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 23
CID 44232694
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 25
CID 44232695
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 27
CID 44235888
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 35
CID 44236110
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CID 44236353
8-anilino-N-(2-hydroxyethyl)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 44236354
1-(3-aminopropyl)-8-(3-(2-(dimethylamino)-2-oxoethyl)phenylamino)-N-((2-methylpyridin-4-yl)methyl)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 46911003

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 24992862) is 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CNc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2.
What is the InChIKey of 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is QXAKKDDDYAESLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-20-12-5-3-4-6-13(12)22-18-21-9-10-7-8-11-15(17(19)26)24-25(2)16(11)14(10)23-18/h3-6,9,20H,7-8H2,1-2H3,(H2,19,26)(H,21,22,23).
What are the key properties of 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[2-(methylamino)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 24992862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).