3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one

C26H24N4O4 — CID 135600027

IUPAC3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(OC(C)C)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C26H24N4O4/c1-15(2)33-21-14-19(32-3)13-20-22(21)24-23(26(31)28-20)25(27)30(29-24)16-9-11-18(12-10-16)34-17-7-5-4-6-8-17/h4-15H,27H2,1-3H3,(H,28,31)
InChIKeyIUFYZESRCLNVDG-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.04
Rot. Bonds6

About 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one

3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135600027) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135600027
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1cc(OC(C)C)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C26H24N4O4/c1-15(2)33-21-14-19(32-3)13-20-22(21)24-23(26(31)28-20)25(27)30(29-24)16-9-11-18(12-10-16)34-17-7-5-4-6-8-17/h4-15H,27H2,1-3H3,(H,28,31)
InChIKeyIUFYZESRCLNVDG-UHFFFAOYSA-N
XLogP5.04
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-7,9-dimethoxy-2-(2-methyl-4-phenoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600019
3-amino-7-methoxy-9-(2-methoxyethoxy)-2-(2-methylphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599922
4-[[3-amino-7-methoxy-2-(2-methylphenyl)-4-oxo-5H-pyrazolo[4,3-c]quinolin-9-yl]oxy]-N-methylbutanamide
CID 135600007
3-amino-2-[4-phenoxy-2-(trifluoromethyl)phenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135600024
3-amino-2-(4-chlorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599993
3-amino-5-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 10381263
4-(3-amino-4-oxo-5H-pyrazolo[4,3-c]quinolin-2-yl)benzenesulfonamide
CID 135599991
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898
3-amino-2-(5-methoxy-2-methyl-4-pyridin-3-yloxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599934
3-amino-2-[4-(2-hydroxyphenoxy)-2-methylphenyl]-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599876
3-[4-(3-aminophenoxy)phenyl]-5-methoxy-1,3,4-oxadiazol-2-one
CID 10149535

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135600027) is 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one is COc1cc(OC(C)C)c2c(c1)[nH]c(=O)c1c(N)n(-c3ccc(Oc4ccccc4)cc3)nc12.
What is the InChIKey of 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is IUFYZESRCLNVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-15(2)33-21-14-19(32-3)13-20-22(21)24-23(26(31)28-20)25(27)30(29-24)16-9-11-18(12-10-16)34-17-7-5-4-6-8-17/h4-15H,27H2,1-3H3,(H,28,31).
What are the key properties of 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one?
3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 456.50 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methoxy-2-(4-phenoxyphenyl)-9-propan-2-yloxy-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135600027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).