4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine

C27H25N5O — CID 67392151

IUPAC4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine
SMILESCc1cccc(-c2c3c(cnc4ccc(-c5cncc(N6CCOCC6)c5)cc43)nn2C)c1
InChIInChI=1S/C27H25N5O/c1-18-4-3-5-20(12-18)27-26-23-14-19(6-7-24(23)29-17-25(26)30-31(27)2)21-13-22(16-28-15-21)32-8-10-33-11-9-32/h3-7,12-17H,8-11H2,1-2H3
InChIKeySGIKWDPJSXHBNV-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.00
Rot. Bonds3

About 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine

4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine (PubChem CID 67392151) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine
PubChem CID67392151
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine
SMILESCc1cccc(-c2c3c(cnc4ccc(-c5cncc(N6CCOCC6)c5)cc43)nn2C)c1
InChIInChI=1S/C27H25N5O/c1-18-4-3-5-20(12-18)27-26-23-14-19(6-7-24(23)29-17-25(26)30-31(27)2)21-13-22(16-28-15-21)32-8-10-33-11-9-32/h3-7,12-17H,8-11H2,1-2H3
InChIKeySGIKWDPJSXHBNV-UHFFFAOYSA-N
XLogP5.00
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine?
The IUPAC name of 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine (CID 67392151) is 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine is Cc1cccc(-c2c3c(cnc4ccc(-c5cncc(N6CCOCC6)c5)cc43)nn2C)c1.
What is the InChIKey of 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine?
The InChIKey is SGIKWDPJSXHBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c1-18-4-3-5-20(12-18)27-26-23-14-19(6-7-24(23)29-17-25(26)30-31(27)2)21-13-22(16-28-15-21)32-8-10-33-11-9-32/h3-7,12-17H,8-11H2,1-2H3.
What are the key properties of 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine?
4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine has a molecular weight of 435.53 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-methyl-1-(3-methylphenyl)pyrazolo[3,4-c]quinolin-8-yl]-3-pyridinyl]morpholine is sourced from PubChem (CID 67392151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).