4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide

C26H24N2O3 — CID 46319113

IUPAC4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)c1
InChIInChI=1S/C26H24N2O3/c1-17-7-9-19(10-8-17)24-15-25(31-3)22-14-20(11-12-23(22)28-24)26(29)27-16-18-5-4-6-21(13-18)30-2/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyUSOFLFYCQHKXQP-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.16
Rot. Bonds6

About 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide

4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide (PubChem CID 46319113) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide
PubChem CID46319113
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)c1
InChIInChI=1S/C26H24N2O3/c1-17-7-9-19(10-8-17)24-15-25(31-3)22-14-20(11-12-23(22)28-24)26(29)27-16-18-5-4-6-21(13-18)30-2/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyUSOFLFYCQHKXQP-UHFFFAOYSA-N
XLogP5.16
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319106
4-methoxy-2-(4-methylphenyl)-N-propylquinoline-6-carboxamide
CID 46319104
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
4-ethoxy-N-(2-methoxy-5-methylphenyl)-2-(3-methoxyphenyl)quinoline-6-carboxamide
CID 46318892
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375
N-[4-methoxy-2-(4-methylphenyl)quinolin-6-yl]benzamide
CID 53001311
4-ethoxy-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)quinoline-6-carboxamide
CID 46319060
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide?
The IUPAC name of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide (CID 46319113) is 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide?
The canonical SMILES for 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide is COc1cccc(CNC(=O)c2ccc3nc(-c4ccc(C)cc4)cc(OC)c3c2)c1.
What is the InChIKey of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide?
The InChIKey is USOFLFYCQHKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-7-9-19(10-8-17)24-15-25(31-3)22-14-20(11-12-23(22)28-24)26(29)27-16-18-5-4-6-21(13-18)30-2/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide?
4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide is sourced from PubChem (CID 46319113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).