1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

C23H26N7O2- — CID 91808125

IUPAC1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(=O)[O-])nn1C)CC2
InChIInChI=1S/C23H27N7O2/c1-14-4-6-16(30-10-8-28(2)9-11-30)12-18(14)25-23-24-13-15-5-7-17-20(22(31)32)27-29(3)21(17)19(15)26-23/h4,6,12-13H,5,7-11H2,1-3H3,(H,31,32)(H,24,25,26)/p-1
InChIKeyNIYZKZFROMUIEF-UHFFFAOYSA-M
MW432.51 g/mol
LogP1.14
Rot. Bonds4

About 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate

1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (PubChem CID 91808125) has the molecular formula C23H26N7O2- and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.

Molecular Properties

Compound Name1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
PubChem CID91808125
Molecular FormulaC23H26N7O2-
Molecular Weight432.51 g/mol
Exact Mass432.22
IUPAC Name1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
SMILESCc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(=O)[O-])nn1C)CC2
InChIInChI=1S/C23H27N7O2/c1-14-4-6-16(30-10-8-28(2)9-11-30)12-18(14)25-23-24-13-15-5-7-17-20(22(31)32)27-29(3)21(17)19(15)26-23/h4,6,12-13H,5,7-11H2,1-3H3,(H,31,32)(H,24,25,26)/p-1
InChIKeyNIYZKZFROMUIEF-UHFFFAOYSA-M
XLogP1.14
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

potassium 1-methyl-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 68668478
1,8-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 143697717
1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
CID 59454366
1-ethyl-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 56664839
8-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydro-[1,2]oxazolo[4,5-h]quinazoline-3-carboxylate
CID 154034895
1-(3-aminopropyl)-N-methyl-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 143697718
8-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-4,5-dihydro-[1,2]oxazolo[4,3-h]quinazoline-3-carboxamide
CID 56644814
ethyl 8-[2-methoxy-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 67203280
8-(2-methoxyanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886960
8-[2-acetyl-4-(4-methylpiperazin-1-yl)phenoxy]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 70495563
8-(4-acetylanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 46886959
methyl 2-[(3-carbamoyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-yl)amino]benzoate
CID 46887101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The IUPAC name of 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate (CID 91808125) is 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate.
What is the SMILES notation for 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The canonical SMILES for 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is Cc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(=O)[O-])nn1C)CC2.
What is the InChIKey of 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
The InChIKey is NIYZKZFROMUIEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H27N7O2/c1-14-4-6-16(30-10-8-28(2)9-11-30)12-18(14)25-23-24-13-15-5-7-17-20(22(31)32)27-29(3)21(17)19(15)26-23/h4,6,12-13H,5,7-11H2,1-3H3,(H,31,32)(H,24,25,26)/p-1.
What are the key properties of 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate?
1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate has a molecular weight of 432.51 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[2-methyl-5-(4-methylpiperazin-1-yl)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate is sourced from PubChem (CID 91808125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).