N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide

C25H21ClN2O2 — CID 22577984

IUPACN-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(OCc2ccccc2)nc2ccccc12
InChIInChI=1S/C25H21ClN2O2/c26-20-12-10-18(11-13-20)14-15-27-25(29)22-16-24(28-23-9-5-4-8-21(22)23)30-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2,(H,27,29)
InChIKeyIVAZCMRGRWPDIE-UHFFFAOYSA-N
MW416.91 g/mol
LogP5.44
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide (PubChem CID 22577984) has the molecular formula C25H21ClN2O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
PubChem CID22577984
Molecular FormulaC25H21ClN2O2
Molecular Weight416.91 g/mol
Exact Mass416.13
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(OCc2ccccc2)nc2ccccc12
InChIInChI=1S/C25H21ClN2O2/c26-20-12-10-18(11-13-20)14-15-27-25(29)22-16-24(28-23-9-5-4-8-21(22)23)30-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2,(H,27,29)
InChIKeyIVAZCMRGRWPDIE-UHFFFAOYSA-N
XLogP5.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.91
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2-phenylmethoxyquinoline-4-carboxamide
CID 22577997
N-[2-(2-methylphenyl)ethyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578073
N-benzyl-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578030
N-[(4-fluorophenyl)methyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22578001
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenyl)sulfanylquinoline-4-carboxamide
CID 4176110
2-[(4-methylphenyl)methoxy]-N-[(2-methylphenyl)methyl]quinoline-4-carboxamide
CID 22578077
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
4-(chloromethyl)-2-[(4-chlorophenyl)methoxy]quinoline
CID 65126344
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methoxy]quinoline-4-carboxamide
CID 22578050
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009331

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide (CID 22577984) is N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cc(OCc2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide?
The InChIKey is IVAZCMRGRWPDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2/c26-20-12-10-18(11-13-20)14-15-27-25(29)22-16-24(28-23-9-5-4-8-21(22)23)30-17-19-6-2-1-3-7-19/h1-13,16H,14-15,17H2,(H,27,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide has a molecular weight of 416.91 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide is sourced from PubChem (CID 22577984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).