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

C19H18N6O2 — CID 46886957

IUPAC8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C19H18N6O2/c1-10(26)12-5-3-4-6-14(12)22-19-21-9-11-7-8-13-16(18(20)27)24-25(2)17(13)15(11)23-19/h3-6,9H,7-8H2,1-2H3,(H2,20,27)(H,21,22,23)
InChIKeyNUQUWKXNHFMEAJ-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.02
Rot. Bonds4

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

8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 46886957) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID46886957
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2
InChIInChI=1S/C19H18N6O2/c1-10(26)12-5-3-4-6-14(12)22-19-21-9-11-7-8-13-16(18(20)27)24-25(2)17(13)15(11)23-19/h3-6,9H,7-8H2,1-2H3,(H2,20,27)(H,21,22,23)
InChIKeyNUQUWKXNHFMEAJ-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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Frequently Asked Questions

What is the IUPAC name of 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 46886957) is 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CC(=O)c1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2.
What is the InChIKey of 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is NUQUWKXNHFMEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-10(26)12-5-3-4-6-14(12)22-19-21-9-11-7-8-13-16(18(20)27)24-25(2)17(13)15(11)23-19/h3-6,9H,7-8H2,1-2H3,(H2,20,27)(H,21,22,23).
What are the key properties of 8-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(2-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-(2-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 46886957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).