4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile

C31H29N5O3 — CID 56592861

IUPAC4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C31H29N5O3/c1-35-27-18-33-26-16-28(37-2)29(15-25(26)30(27)31(34-35)24-8-6-21(17-32)7-9-24)39-20-23-5-3-4-22(14-23)19-36-10-12-38-13-11-36/h3-9,14-16,18H,10-13,19-20H2,1-2H3
InChIKeyOSMXCUXDGYBNAC-UHFFFAOYSA-N
MW519.61 g/mol
LogP5.08
Rot. Bonds7

About 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile

4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile (PubChem CID 56592861) has the molecular formula C31H29N5O3 and a molecular weight of 519.61 g/mol. Its IUPAC name is 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
PubChem CID56592861
Molecular FormulaC31H29N5O3
Molecular Weight519.61 g/mol
Exact Mass519.23
IUPAC Name4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
SMILESCOc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C31H29N5O3/c1-35-27-18-33-26-16-28(37-2)29(15-25(26)30(27)31(34-35)24-8-6-21(17-32)7-9-24)39-20-23-5-3-4-22(14-23)19-36-10-12-38-13-11-36/h3-9,14-16,18H,10-13,19-20H2,1-2H3
InChIKeyOSMXCUXDGYBNAC-UHFFFAOYSA-N
XLogP5.08
TPSA85.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.61
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile (CID 56592861) is 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
The InChIKey is OSMXCUXDGYBNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N5O3/c1-35-27-18-33-26-16-28(37-2)29(15-25(26)30(27)31(34-35)24-8-6-21(17-32)7-9-24)39-20-23-5-3-4-22(14-23)19-36-10-12-38-13-11-36/h3-9,14-16,18H,10-13,19-20H2,1-2H3.
What are the key properties of 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?
4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile has a molecular weight of 519.61 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-methoxy-3-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 56592861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).