2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide

C24H14ClF4N5O — CID 71766796

IUPAC2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2[nH]c(Nc3c(F)cccc3Cl)nc2c2cccnc12
InChIInChI=1S/C24H14ClF4N5O/c25-16-7-2-8-17(26)21(16)34-23-32-18-11-15(19-14(20(18)33-23)6-3-9-30-19)22(35)31-13-5-1-4-12(10-13)24(27,28)29/h1-11H,(H,31,35)(H2,32,33,34)
InChIKeyNIHHRYQEPRIIBI-UHFFFAOYSA-N
MW499.86 g/mol
LogP6.92
Rot. Bonds4

About 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide

2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide (PubChem CID 71766796) has the molecular formula C24H14ClF4N5O and a molecular weight of 499.86 g/mol. Its IUPAC name is 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide
PubChem CID71766796
Molecular FormulaC24H14ClF4N5O
Molecular Weight499.86 g/mol
Exact Mass499.08
IUPAC Name2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2[nH]c(Nc3c(F)cccc3Cl)nc2c2cccnc12
InChIInChI=1S/C24H14ClF4N5O/c25-16-7-2-8-17(26)21(16)34-23-32-18-11-15(19-14(20(18)33-23)6-3-9-30-19)22(35)31-13-5-1-4-12(10-13)24(27,28)29/h1-11H,(H,31,35)(H2,32,33,34)
InChIKeyNIHHRYQEPRIIBI-UHFFFAOYSA-N
XLogP6.92
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.86
LogP ≤ 56.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide (CID 71766796) is 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc2[nH]c(Nc3c(F)cccc3Cl)nc2c2cccnc12.
What is the InChIKey of 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide?
The InChIKey is NIHHRYQEPRIIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClF4N5O/c25-16-7-2-8-17(26)21(16)34-23-32-18-11-15(19-14(20(18)33-23)6-3-9-30-19)22(35)31-13-5-1-4-12(10-13)24(27,28)29/h1-11H,(H,31,35)(H2,32,33,34).
What are the key properties of 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide?
2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide has a molecular weight of 499.86 g/mol, XLogP of 6.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-f]quinoline-5-carboxamide is sourced from PubChem (CID 71766796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).