3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one

C30H32N4O3 — CID 23153889

IUPAC3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccccc4C(C)C)nc3c3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C30H32N4O3/c1-18(2)23-8-6-7-9-25(23)34-29(31)27-28(32-34)24-15-14-22(37-19(3)4)16-26(24)33(30(27)35)17-20-10-12-21(36-5)13-11-20/h6-16,18-19H,17,31H2,1-5H3
InChIKeyZMTNPMZPJFFSCP-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.89
Rot. Bonds7

About 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one

3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23153889) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one
PubChem CID23153889
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC Name3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4ccccc4C(C)C)nc3c3ccc(OC(C)C)cc32)cc1
InChIInChI=1S/C30H32N4O3/c1-18(2)23-8-6-7-9-25(23)34-29(31)27-28(32-34)24-15-14-22(37-19(3)4)16-26(24)33(30(27)35)17-20-10-12-21(36-5)13-11-20/h6-16,18-19H,17,31H2,1-5H3
InChIKeyZMTNPMZPJFFSCP-UHFFFAOYSA-N
XLogP5.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one (CID 23153889) is 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4ccccc4C(C)C)nc3c3ccc(OC(C)C)cc32)cc1.
What is the InChIKey of 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ZMTNPMZPJFFSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-18(2)23-8-6-7-9-25(23)34-29(31)27-28(32-34)24-15-14-22(37-19(3)4)16-26(24)33(30(27)35)17-20-10-12-21(36-5)13-11-20/h6-16,18-19H,17,31H2,1-5H3.
What are the key properties of 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one?
3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 496.61 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(4-methoxyphenyl)methyl]-7-propan-2-yloxy-2-(2-propan-2-ylphenyl)pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23153889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).