1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C24H17ClF2N4O2 — CID 71553329

IUPAC1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(F)c(Cl)c2)c2c3cc(-c4cncc(OCCF)c4)ccc3ncc21
InChIInChI=1S/C24H17ClF2N4O2/c1-30-22-13-29-21-5-2-14(15-8-17(12-28-11-15)33-7-6-26)9-18(21)23(22)31(24(30)32)16-3-4-20(27)19(25)10-16/h2-5,8-13H,6-7H2,1H3
InChIKeyRXKLARMLVRYAEJ-UHFFFAOYSA-N
MW466.88 g/mol
LogP5.08
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 71553329) has the molecular formula C24H17ClF2N4O2 and a molecular weight of 466.88 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID71553329
Molecular FormulaC24H17ClF2N4O2
Molecular Weight466.88 g/mol
Exact Mass466.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(F)c(Cl)c2)c2c3cc(-c4cncc(OCCF)c4)ccc3ncc21
InChIInChI=1S/C24H17ClF2N4O2/c1-30-22-13-29-21-5-2-14(15-8-17(12-28-11-15)33-7-6-26)9-18(21)23(22)31(24(30)32)16-3-4-20(27)19(25)10-16/h2-5,8-13H,6-7H2,1H3
InChIKeyRXKLARMLVRYAEJ-UHFFFAOYSA-N
XLogP5.08
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 71553329) is 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2ccc(F)c(Cl)c2)c2c3cc(-c4cncc(OCCF)c4)ccc3ncc21.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is RXKLARMLVRYAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N4O2/c1-30-22-13-29-21-5-2-14(15-8-17(12-28-11-15)33-7-6-26)9-18(21)23(22)31(24(30)32)16-3-4-20(27)19(25)10-16/h2-5,8-13H,6-7H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 466.88 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-8-[5-(2-fluoroethoxy)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 71553329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).