7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide

C25H22N2O2 — CID 10177949

IUPAC7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H22N2O2/c1-29-20-12-13-21-22(25(28)26-15-14-18-8-4-2-5-9-18)17-23(27-24(21)16-20)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3,(H,26,28)
InChIKeyKZSUPRZXPZJFSA-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.88
Rot. Bonds6

About 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide

7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide (PubChem CID 10177949) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide
PubChem CID10177949
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide
SMILESCOc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1
InChIInChI=1S/C25H22N2O2/c1-29-20-12-13-21-22(25(28)26-15-14-18-8-4-2-5-9-18)17-23(27-24(21)16-20)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3,(H,26,28)
InChIKeyKZSUPRZXPZJFSA-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide (CID 10177949) is 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide is COc1ccc2c(C(=O)NCCc3ccccc3)cc(-c3ccccc3)nc2c1.
What is the InChIKey of 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide?
The InChIKey is KZSUPRZXPZJFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-29-20-12-13-21-22(25(28)26-15-14-18-8-4-2-5-9-18)17-23(27-24(21)16-20)19-10-6-3-7-11-19/h2-13,16-17H,14-15H2,1H3,(H,26,28).
What are the key properties of 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide?
7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-N-(2-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 10177949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).