3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione

C24H20N4O4 — CID 23153976

IUPAC3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
SMILESCOc1cc(-n2[nH]c3c(c2N)c(=O)[nH]c2cc(=O)ccc23)c(C)cc1Oc1ccccc1
InChIInChI=1S/C24H20N4O4/c1-13-10-20(32-15-6-4-3-5-7-15)19(31-2)12-18(13)28-23(25)21-22(27-28)16-9-8-14(29)11-17(16)26-24(21)30/h3-12,27H,25H2,1-2H3,(H,26,30)
InChIKeyZBVNLSBMIBDTPX-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.85
Rot. Bonds4

About 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione

3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione (PubChem CID 23153976) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione.

Molecular Properties

Compound Name3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
PubChem CID23153976
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
SMILESCOc1cc(-n2[nH]c3c(c2N)c(=O)[nH]c2cc(=O)ccc23)c(C)cc1Oc1ccccc1
InChIInChI=1S/C24H20N4O4/c1-13-10-20(32-15-6-4-3-5-7-15)19(31-2)12-18(13)28-23(25)21-22(27-28)16-9-8-14(29)11-17(16)26-24(21)30/h3-12,27H,25H2,1-2H3,(H,26,30)
InChIKeyZBVNLSBMIBDTPX-UHFFFAOYSA-N
XLogP3.85
TPSA115.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-2-(2-propan-2-ylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione
CID 23154016
3-amino-7-methoxy-2-(2-methylphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,9-dione
CID 23154042
3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599934
3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600019
3-amino-7,8-dimethoxy-2-(4-methyl-3-pyridinyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599954
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599876
2,4,9-triphenoxy-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 139788390
1,4-dimethoxy-2-phenoxybenzene;molecular nitrogen
CID 70565966
1-(3-methoxyphenyl)-3-(3-methyl-4-phenoxyphenyl)-1,3,5-triazinane-2,4,6-trione
CID 139434096
3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600027
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
The IUPAC name of 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione (CID 23153976) is 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione.
What is the SMILES notation for 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
The canonical SMILES for 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione is COc1cc(-n2[nH]c3c(c2N)c(=O)[nH]c2cc(=O)ccc23)c(C)cc1Oc1ccccc1.
What is the InChIKey of 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
The InChIKey is ZBVNLSBMIBDTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c1-13-10-20(32-15-6-4-3-5-7-15)19(31-2)12-18(13)28-23(25)21-22(27-28)16-9-8-14(29)11-17(16)26-24(21)30/h3-12,27H,25H2,1-2H3,(H,26,30).
What are the key properties of 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione?
3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione has a molecular weight of 428.45 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-methoxy-2-methyl-4-phenoxyphenyl)-1,5-dihydropyrazolo[4,3-c]quinoline-4,7-dione is sourced from PubChem (CID 23153976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).