4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide

C16H9ClF2N2O — CID 71566435

IUPAC4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cc(Cl)cc2F)c2ccccc2n1
InChIInChI=1S/C16H9ClF2N2O/c17-8-5-11(18)15(12(19)6-8)10-7-14(16(20)22)21-13-4-2-1-3-9(10)13/h1-7H,(H2,20,22)
InChIKeyNVJCHSUTTDBONN-UHFFFAOYSA-N
MW318.71 g/mol
LogP3.93
Rot. Bonds2

About 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide

4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide (PubChem CID 71566435) has the molecular formula C16H9ClF2N2O and a molecular weight of 318.71 g/mol. Its IUPAC name is 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide
PubChem CID71566435
Molecular FormulaC16H9ClF2N2O
Molecular Weight318.71 g/mol
Exact Mass318.04
IUPAC Name4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2c(F)cc(Cl)cc2F)c2ccccc2n1
InChIInChI=1S/C16H9ClF2N2O/c17-8-5-11(18)15(12(19)6-8)10-7-14(16(20)22)21-13-4-2-1-3-9(10)13/h1-7H,(H2,20,22)
InChIKeyNVJCHSUTTDBONN-UHFFFAOYSA-N
XLogP3.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide?
The IUPAC name of 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide (CID 71566435) is 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2c(F)cc(Cl)cc2F)c2ccccc2n1.
What is the InChIKey of 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide?
The InChIKey is NVJCHSUTTDBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O/c17-8-5-11(18)15(12(19)6-8)10-7-14(16(20)22)21-13-4-2-1-3-9(10)13/h1-7H,(H2,20,22).
What are the key properties of 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide?
4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide has a molecular weight of 318.71 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-difluorophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71566435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).