N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide

C24H20N2O2 — CID 58387946

IUPACN-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C24H20N2O2/c27-24(21-10-13-23-20(15-21)7-4-14-25-23)26-16-18-8-11-22(12-9-18)28-17-19-5-2-1-3-6-19/h1-15H,16-17H2,(H,26,27)
InChIKeySXRTYKXADHSQKV-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.74
Rot. Bonds6

About N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide

N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide (PubChem CID 58387946) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
PubChem CID58387946
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide
SMILESO=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2ncccc2c1
InChIInChI=1S/C24H20N2O2/c27-24(21-10-13-23-20(15-21)7-4-14-25-23)26-16-18-8-11-22(12-9-18)28-17-19-5-2-1-3-6-19/h1-15H,16-17H2,(H,26,27)
InChIKeySXRTYKXADHSQKV-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(phenoxymethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192187
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
N-[[4-(furan-2-ylmethoxy)phenyl]methyl]quinoline-6-carboxamide
CID 58388068
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
N-[[4-(benzenesulfonyl)phenyl]methyl]quinoline-6-carboxamide
CID 56943128
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[[4-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 71822071
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(3-ethynylphenyl)methyl]quinoline-6-carboxamide
CID 59192286
N-[(5-benzylthiophen-2-yl)methyl]quinoline-6-carboxamide
CID 58388064
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide (CID 58387946) is N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide is O=C(NCc1ccc(OCc2ccccc2)cc1)c1ccc2ncccc2c1.
What is the InChIKey of N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide?
The InChIKey is SXRTYKXADHSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c27-24(21-10-13-23-20(15-21)7-4-14-25-23)26-16-18-8-11-22(12-9-18)28-17-19-5-2-1-3-6-19/h1-15H,16-17H2,(H,26,27).
What are the key properties of N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide?
N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxyphenyl)methyl]quinoline-6-carboxamide is sourced from PubChem (CID 58387946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).