N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide

C25H22N2O3 — CID 26031383

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3ncccc23)ccc1OCc1ccccc1
InChIInChI=1S/C25H22N2O3/c1-29-24-15-19(12-13-23(24)30-17-18-7-3-2-4-8-18)16-27-25(28)21-9-5-11-22-20(21)10-6-14-26-22/h2-15H,16-17H2,1H3,(H,27,28)
InChIKeyMMOIDRSKGUMQJI-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.75
Rot. Bonds7

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide (PubChem CID 26031383) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
PubChem CID26031383
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
SMILESCOc1cc(CNC(=O)c2cccc3ncccc23)ccc1OCc1ccccc1
InChIInChI=1S/C25H22N2O3/c1-29-24-15-19(12-13-23(24)30-17-18-7-3-2-4-8-18)16-27-25(28)21-9-5-11-22-20(21)10-6-14-26-22/h2-15H,16-17H2,1H3,(H,27,28)
InChIKeyMMOIDRSKGUMQJI-UHFFFAOYSA-N
XLogP4.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoxaline-5-carboxamide
CID 112844532
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-methyl-2-nitrobenzamide
CID 27865742
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-phenylmethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]quinoline-4-carboxamide
CID 22578012
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
4-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-4-oxobutanoate
CID 9151302
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide (CID 26031383) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide is COc1cc(CNC(=O)c2cccc3ncccc23)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide?
The InChIKey is MMOIDRSKGUMQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-29-24-15-19(12-13-23(24)30-17-18-7-3-2-4-8-18)16-27-25(28)21-9-5-11-22-20(21)10-6-14-26-22/h2-15H,16-17H2,1H3,(H,27,28).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide is sourced from PubChem (CID 26031383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).