3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one

C20H20ClN4O2P — CID 70829594

IUPAC3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(Cl)cc1-n1nc2c(c1N)c(=O)n(P)c1cc(OC(C)C)ccc21
InChIInChI=1S/C20H20ClN4O2P/c1-10(2)27-13-6-7-14-16(9-13)25(28)20(26)17-18(14)23-24(19(17)22)15-8-12(21)5-4-11(15)3/h4-10H,22,28H2,1-3H3
InChIKeyIUDYHMSCMZXMOQ-UHFFFAOYSA-N
MW414.83 g/mol
LogP4.31
Rot. Bonds3

About 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one

3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one (PubChem CID 70829594) has the molecular formula C20H20ClN4O2P and a molecular weight of 414.83 g/mol. Its IUPAC name is 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
PubChem CID70829594
Molecular FormulaC20H20ClN4O2P
Molecular Weight414.83 g/mol
Exact Mass414.10
IUPAC Name3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one
SMILESCc1ccc(Cl)cc1-n1nc2c(c1N)c(=O)n(P)c1cc(OC(C)C)ccc21
InChIInChI=1S/C20H20ClN4O2P/c1-10(2)27-13-6-7-14-16(9-13)25(28)20(26)17-18(14)23-24(19(17)22)15-8-12(21)5-4-11(15)3/h4-10H,22,28H2,1-3H3
InChIKeyIUDYHMSCMZXMOQ-UHFFFAOYSA-N
XLogP4.31
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.83
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one (CID 70829594) is 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one is Cc1ccc(Cl)cc1-n1nc2c(c1N)c(=O)n(P)c1cc(OC(C)C)ccc21.
What is the InChIKey of 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
The InChIKey is IUDYHMSCMZXMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN4O2P/c1-10(2)27-13-6-7-14-16(9-13)25(28)20(26)17-18(14)23-24(19(17)22)15-8-12(21)5-4-11(15)3/h4-10H,22,28H2,1-3H3.
What are the key properties of 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one has a molecular weight of 414.83 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(5-chloro-2-methylphenyl)-5-phosphanyl-7-propan-2-yloxypyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 70829594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).