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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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).