N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

C24H19FN2O2 — CID 4626455

IUPACN-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19FN2O2/c1-29-19-12-8-17(9-13-19)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-15-16-6-10-18(25)11-7-16/h2-14H,15H2,1H3,(H,26,28)
InChIKeyAMQYZFHUDVMNDM-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.98
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4626455) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4626455
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H19FN2O2/c1-29-19-12-8-17(9-13-19)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-15-16-6-10-18(25)11-7-16/h2-14H,15H2,1H3,(H,26,28)
InChIKeyAMQYZFHUDVMNDM-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 4626455) is N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is AMQYZFHUDVMNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-29-19-12-8-17(9-13-19)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-15-16-6-10-18(25)11-7-16/h2-14H,15H2,1H3,(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4626455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).