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

C19H18N6O2 — CID 46886959

IUPAC8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
InChIInChI=1S/C19H18N6O2/c1-10(26)11-3-6-13(7-4-11)22-19-21-9-12-5-8-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-4,6-7,9H,5,8H2,1-2H3,(H2,20,27)(H,21,22,23)
InChIKeyXWQNZYCWLMEIBB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.02
Rot. Bonds4

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

8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46886959) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46886959
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)c1ccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
InChIInChI=1S/C19H18N6O2/c1-10(26)11-3-6-13(7-4-11)22-19-21-9-12-5-8-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-4,6-7,9H,5,8H2,1-2H3,(H2,20,27)(H,21,22,23)
InChIKeyXWQNZYCWLMEIBB-UHFFFAOYSA-N
XLogP2.02
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-(2-methoxyanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886960
methyl 2-[(3-carbamoyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-yl)amino]benzoate
CID 46887101
8-(ethylcarbamoylamino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 68937942
ethyl 8-[4-(hydroxymethyl)anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 68936709
1-methyl-8-(pyridin-2-ylamino)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide;1-methyl-8-(pyridin-2-ylamino)-4,5-dihydro-2H-pyrazolo[4,3-h]quinazolin-1-ium-3-carboxamide;chloride
CID 159971825
ethyl 8-[3-(hydroxymethyl)anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 68939279
1-methyl-8-[5-(1-methylpiperidin-4-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 68668310
8-[(2-cyclohexa-1,3-dien-1-yl-1-cyclopropylideneethyl)amino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 163626767
1-methyl-8-[5-(4-methyl-1,4-dioxidopiperazine-1,4-diium-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 52947965
1-methyl-8-[[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-4-yl]amino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46233286
1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 143697717
1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 91808125

Frequently Asked Questions

What is the IUPAC name of 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46886959) is 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CC(=O)c1ccc(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1.
What is the InChIKey of 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is XWQNZYCWLMEIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-10(26)11-3-6-13(7-4-11)22-19-21-9-12-5-8-14-16(18(20)27)24-25(2)17(14)15(12)23-19/h3-4,6-7,9H,5,8H2,1-2H3,(H2,20,27)(H,21,22,23).
What are the key properties of 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46886959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).