2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile

C27H22FN5O2 — CID 57345102

IUPAC2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCOc1ccc(F)cc1-c1ccc2ncc3c(c2c1)n(-c1ccc(C(C)(C)C#N)nc1)c(=O)n3C
InChIInChI=1S/C27H22FN5O2/c1-27(2,15-29)24-10-7-18(13-31-24)33-25-20-11-16(19-12-17(28)6-9-23(19)35-4)5-8-21(20)30-14-22(25)32(3)26(33)34/h5-14H,1-4H3
InChIKeySETQYHFLJIIDJM-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.89
Rot. Bonds4

About 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile

2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile (PubChem CID 57345102) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 g/mol. Its IUPAC name is 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile
PubChem CID57345102
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC Name2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile
SMILESCOc1ccc(F)cc1-c1ccc2ncc3c(c2c1)n(-c1ccc(C(C)(C)C#N)nc1)c(=O)n3C
InChIInChI=1S/C27H22FN5O2/c1-27(2,15-29)24-10-7-18(13-31-24)33-25-20-11-16(19-12-17(28)6-9-23(19)35-4)5-8-21(20)30-14-22(25)32(3)26(33)34/h5-14H,1-4H3
InChIKeySETQYHFLJIIDJM-UHFFFAOYSA-N
XLogP4.89
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
CID 57344183
2-[4-[8-[5-(cyanomethoxy)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile
CID 71553506
[1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56599117
2-methyl-2-[4-[2-oxo-8-quinolin-3-yl-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 25207809
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
(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
4-[2-cyanoimino-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-8-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 87097721
1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one
CID 134438123
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
1-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]cyclopropane-1-carbonitrile;4-methylbenzenesulfonic acid
CID 87185153
[8-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 87097555

Frequently Asked Questions

What is the IUPAC name of 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile (CID 57345102) is 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile is COc1ccc(F)cc1-c1ccc2ncc3c(c2c1)n(-c1ccc(C(C)(C)C#N)nc1)c(=O)n3C.
What is the InChIKey of 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile?
The InChIKey is SETQYHFLJIIDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2/c1-27(2,15-29)24-10-7-18(13-31-24)33-25-20-11-16(19-12-17(28)6-9-23(19)35-4)5-8-21(20)30-14-22(25)32(3)26(33)34/h5-14H,1-4H3.
What are the key properties of 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile?
2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile has a molecular weight of 467.50 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[8-(5-fluoro-2-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 57345102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).