N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

C24H18ClFN2O2 — CID 2163871

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1
InChIInChI=1S/C24H18ClFN2O2/c1-14-22(24(29)27-16-9-12-20(26)19(25)13-16)18-5-3-4-6-21(18)28-23(14)15-7-10-17(30-2)11-8-15/h3-13H,1-2H3,(H,27,29)
InChIKeyZZVQWSPFVRLRSR-UHFFFAOYSA-N
MW420.87 g/mol
LogP6.26
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (PubChem CID 2163871) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
PubChem CID2163871
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1
InChIInChI=1S/C24H18ClFN2O2/c1-14-22(24(29)27-16-9-12-20(26)19(25)13-16)18-5-3-4-6-21(18)28-23(14)15-7-10-17(30-2)11-8-15/h3-13H,1-2H3,(H,27,29)
InChIKeyZZVQWSPFVRLRSR-UHFFFAOYSA-N
XLogP6.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.87
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide (CID 2163871) is N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
The InChIKey is ZZVQWSPFVRLRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c1-14-22(24(29)27-16-9-12-20(26)19(25)13-16)18-5-3-4-6-21(18)28-23(14)15-7-10-17(30-2)11-8-15/h3-13H,1-2H3,(H,27,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide has a molecular weight of 420.87 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 2163871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).