2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile

C32H29N5O2 — CID 123642835

IUPAC2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCC1C=C(c2ccc3ncc4c(c3c2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)C=C(OCC#N)C=CC1
InChIInChI=1S/C32H29N5O2/c1-21-6-5-7-26(39-15-14-33)17-23(16-21)22-8-13-28-27(18-22)30-29(19-35-28)36(4)31(38)37(30)25-11-9-24(10-12-25)32(2,3)20-34/h5,7-13,16-19,21H,6,15H2,1-4H3
InChIKeyICIBKDJRAQJMLN-UHFFFAOYSA-N
MW515.62 g/mol
LogP6.08
Rot. Bonds5

About 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile

2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile (PubChem CID 123642835) has the molecular formula C32H29N5O2 and a molecular weight of 515.62 g/mol. Its IUPAC name is 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
PubChem CID123642835
Molecular FormulaC32H29N5O2
Molecular Weight515.62 g/mol
Exact Mass515.23
IUPAC Name2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCC1C=C(c2ccc3ncc4c(c3c2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)C=C(OCC#N)C=CC1
InChIInChI=1S/C32H29N5O2/c1-21-6-5-7-26(39-15-14-33)17-23(16-21)22-8-13-28-27(18-22)30-29(19-35-28)36(4)31(38)37(30)25-11-9-24(10-12-25)32(2,3)20-34/h5,7-13,16-19,21H,6,15H2,1-4H3
InChIKeyICIBKDJRAQJMLN-UHFFFAOYSA-N
XLogP6.08
TPSA96.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.62
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile with MolForge

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Related Compounds

2-[4-[8-[5-(cyanomethoxy)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 71553506
2-[4-[8-[5-(2-methoxyethoxy)-4-methylidenecyclohepta-1,6-dien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 123796662
2-methyl-2-[4-[3-methyl-2-oxo-8-[6-[(1Z,3Z)-penta-1,3-dienyl]-3-pyridinyl]imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 144955468
2-methyl-2-[4-[2-oxo-8-quinolin-3-yl-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 25207809
(E)-N-[5-[1-[4-(2-cyanopropan-2-yl)phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]but-2-enamide
CID 71554548
2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
CID 11978438
2-[4-[8-[6-[6-[1-[amino(methyl)amino]prop-1-en-2-yl]-3-pyridinyl]-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 123398932
2-methyl-2-[4-(3-methyl-8-quinolin-3-yloxy-2-sulfanylideneimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
CID 152759432
2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile
CID 57345102
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile
CID 45254588
4-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 71565711
2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 90182384

Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile (CID 123642835) is 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile is CC1C=C(c2ccc3ncc4c(c3c2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)C=C(OCC#N)C=CC1.
What is the InChIKey of 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile?
The InChIKey is ICIBKDJRAQJMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O2/c1-21-6-5-7-26(39-15-14-33)17-23(16-21)22-8-13-28-27(18-22)30-29(19-35-28)36(4)31(38)37(30)25-11-9-24(10-12-25)32(2,3)20-34/h5,7-13,16-19,21H,6,15H2,1-4H3.
What are the key properties of 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile?
2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile has a molecular weight of 515.62 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-[7-(cyanomethoxy)-3-methylcycloocta-1,5,7-trien-1-yl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 123642835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).