6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide

C25H22N2O2 — CID 47016616

IUPAC6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NC(c3ccccc3)c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C25H22N2O2/c1-17-8-10-19(11-9-17)24(18-6-4-3-5-7-18)27-25(28)23-14-12-20-16-21(29-2)13-15-22(20)26-23/h3-16,24H,1-2H3,(H,27,28)
InChIKeyRFTNIAVYWOTFEB-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.07
Rot. Bonds5

About 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide

6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide (PubChem CID 47016616) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide
PubChem CID47016616
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NC(c3ccccc3)c3ccc(C)cc3)ccc2c1
InChIInChI=1S/C25H22N2O2/c1-17-8-10-19(11-9-17)24(18-6-4-3-5-7-18)27-25(28)23-14-12-20-16-21(29-2)13-15-22(20)26-23/h3-16,24H,1-2H3,(H,27,28)
InChIKeyRFTNIAVYWOTFEB-UHFFFAOYSA-N
XLogP5.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
2-(2,4-dimethoxyphenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 9464338
3-methoxy-N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500173
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
3-methoxy-4-methyl-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 18208620
6-methoxy-N-(4-methyl-1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 35801722
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide?
The IUPAC name of 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide (CID 47016616) is 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide is COc1ccc2nc(C(=O)NC(c3ccccc3)c3ccc(C)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide?
The InChIKey is RFTNIAVYWOTFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-17-8-10-19(11-9-17)24(18-6-4-3-5-7-18)27-25(28)23-14-12-20-16-21(29-2)13-15-22(20)26-23/h3-16,24H,1-2H3,(H,27,28).
What are the key properties of 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide?
6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide has a molecular weight of 382.46 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 6-methoxy-N-[(4-methylphenyl)-phenylmethyl]quinoline-2-carboxamide is sourced from PubChem (CID 47016616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).