4-phenylmethoxy-N-quinolin-5-ylbenzamide

C23H18N2O2 — CID 1017989

IUPAC4-phenylmethoxy-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c26-23(25-22-10-4-9-21-20(22)8-5-15-24-21)18-11-13-19(14-12-18)27-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26)
InChIKeyYNGPZQPOASHIEW-UHFFFAOYSA-N
MW354.41 g/mol
LogP5.07
Rot. Bonds5

About 4-phenylmethoxy-N-quinolin-5-ylbenzamide

4-phenylmethoxy-N-quinolin-5-ylbenzamide (PubChem CID 1017989) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-phenylmethoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-phenylmethoxy-N-quinolin-5-ylbenzamide
PubChem CID1017989
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name4-phenylmethoxy-N-quinolin-5-ylbenzamide
SMILESO=C(Nc1cccc2ncccc12)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H18N2O2/c26-23(25-22-10-4-9-21-20(22)8-5-15-24-21)18-11-13-19(14-12-18)27-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26)
InChIKeyYNGPZQPOASHIEW-UHFFFAOYSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Jtc-801
CID 5311339
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
Cdn1163
CID 16016585
4-(cyclopropylmethoxy)-N-[8-methyl-3-[(1R)-1-pyrrolidin-1-ylethyl]quinolin-7-yl]benzamide
CID 57521365
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]quinoline-6-carboxamide
CID 117996828
N-(4-(2-(hydroxyamino)-2-oxoethyl)tetrahydro-2H-pyran-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 9868333
(3R,4R)-rel-Tetrahydro-N-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]benzoyl]amino]-2H-pyran-3-carboxamide
CID 10252411
N-(3-(hydroxyamino)-3-oxopropyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10293089
N-((1R,2S)-2-(hydroxycarbamoyl)cyclopentyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10387351
N-Cyclopropyl-6-[(7-methoxy-4-quinolinyl)oxy]-1-naphthalenecarboxamide
CID 11383525
4-(4-methoxyphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436114

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-phenylmethoxy-N-quinolin-5-ylbenzamide (CID 1017989) is 4-phenylmethoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-phenylmethoxy-N-quinolin-5-ylbenzamide is O=C(Nc1cccc2ncccc12)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
The InChIKey is YNGPZQPOASHIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-23(25-22-10-4-9-21-20(22)8-5-15-24-21)18-11-13-19(14-12-18)27-16-17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26).
What are the key properties of 4-phenylmethoxy-N-quinolin-5-ylbenzamide?
4-phenylmethoxy-N-quinolin-5-ylbenzamide has a molecular weight of 354.41 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 1017989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).