3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide

C27H24N4O3 — CID 68633326

IUPAC3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nn(C)c3cnc4cc(OC)c(OCc5ccccc5)cc4c23)c1
InChIInChI=1S/C27H24N4O3/c1-28-27(32)19-11-7-10-18(12-19)26-25-20-13-24(34-16-17-8-5-4-6-9-17)23(33-3)14-21(20)29-15-22(25)31(2)30-26/h4-15H,16H2,1-3H3,(H,28,32)
InChIKeyDIGAGTSCASFOKV-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.74
Rot. Bonds6

About 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide

3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide (PubChem CID 68633326) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide
PubChem CID68633326
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC Name3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2nn(C)c3cnc4cc(OC)c(OCc5ccccc5)cc4c23)c1
InChIInChI=1S/C27H24N4O3/c1-28-27(32)19-11-7-10-18(12-19)26-25-20-13-24(34-16-17-8-5-4-6-9-17)23(33-3)14-21(20)29-15-22(25)31(2)30-26/h4-15H,16H2,1-3H3,(H,28,32)
InChIKeyDIGAGTSCASFOKV-UHFFFAOYSA-N
XLogP4.74
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591533
4-(7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl)benzonitrile
CID 56592426
4-chloro-6-methoxy-7-phenylmethoxyquinolin-3-amine;ethane
CID 177004461
(2R)-2-[1-(4-cyano-2-fluorophenyl)-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl]oxy-2-phenylacetamide
CID 134400010
6-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxy-N-methylnaphthalene-1-carboxamide
CID 67276786
3-iodo-5-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 2222138
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
1-benzyl-3-(6,7-dimethoxy-4-phenylquinolin-3-yl)urea
CID 19754489
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
4-chloro-3-isocyano-7-methoxy-6-phenylmethoxyquinoline
CID 155636883

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide?
The IUPAC name of 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide (CID 68633326) is 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide.
What is the SMILES notation for 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide?
The canonical SMILES for 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide is CNC(=O)c1cccc(-c2nn(C)c3cnc4cc(OC)c(OCc5ccccc5)cc4c23)c1.
What is the InChIKey of 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide?
The InChIKey is DIGAGTSCASFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-28-27(32)19-11-7-10-18(12-19)26-25-20-13-24(34-16-17-8-5-4-6-9-17)23(33-3)14-21(20)29-15-22(25)31(2)30-26/h4-15H,16H2,1-3H3,(H,28,32).
What are the key properties of 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide?
3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide has a molecular weight of 452.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-3-methyl-8-phenylmethoxypyrazolo[3,4-c]quinolin-1-yl)-N-methylbenzamide is sourced from PubChem (CID 68633326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).