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

C19H20N6O2 — CID 45141800

IUPAC8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCOc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
InChIInChI=1S/C19H20N6O2/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(27-2)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)
InChIKeyHWFOUEQKCWVCBH-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.70
Rot. Bonds5

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

8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45141800) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45141800
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCOc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1
InChIInChI=1S/C19H20N6O2/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(27-2)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23)
InChIKeyHWFOUEQKCWVCBH-UHFFFAOYSA-N
XLogP1.70
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Onvansertib
CID 49792852
1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, 4,5-dihydro-8-[[2-methoxy-5-(4-methyl-1-piperazinyl)phenyl]amino]-1-methyl-
CID 24993189
1-methyl-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 24825755
8-(5-(piperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-1-vinyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 56657856
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 32
CID 44232697
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 33
CID 44236109
4-(4-Methoxyphenyl)spiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,1'-cyclopropane]-12-one
CID 42646194
4-(4-Methoxyphenyl)-1'-methylspiro[3,5,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16)-pentaene-15,3'-azetidine]-12-one
CID 42646706
ethyl 8-anilino-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylate
CID 44232942
N-(2,6-diethylphenyl)-8-(2-methoxyanilino)-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 44555761
8-[[4-(Aminocarbonyl)-2-methoxyphenyl]amino]-N-(2,6-diethylphenyl)-4,5-dihydro-1-methyl-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
CID 44556214
N-(2,6-diethylphenyl)-8-[4-[2-(dimethylamino)ethylcarbamoyl]-2-methoxyanilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 44556329

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45141800) is 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is COc1ccc(CNc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)cc1.
What is the InChIKey of 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is HWFOUEQKCWVCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-25-17-14(16(24-25)18(20)26)8-5-12-10-22-19(23-15(12)17)21-9-11-3-6-13(27-2)7-4-11/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,20,26)(H,21,22,23).
What are the key properties of 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methoxyphenyl)methylamino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45141800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).