3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide

C26H24N2O3 — CID 167614869

IUPAC3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
SMILESCOc1cc2c(Oc3cccc(C(=O)N[C@H](C)c4ccccc4)c3)ccnc2cc1C
InChIInChI=1S/C26H24N2O3/c1-17-14-23-22(16-25(17)30-3)24(12-13-27-23)31-21-11-7-10-20(15-21)26(29)28-18(2)19-8-5-4-6-9-19/h4-16,18H,1-3H3,(H,28,29)/t18-/m1/s1
InChIKeyXDZWOWWGGVRORC-GOSISDBHSA-N
MW412.49 g/mol
LogP5.84
Rot. Bonds6

About 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide

3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 167614869) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
PubChem CID167614869
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
SMILESCOc1cc2c(Oc3cccc(C(=O)N[C@H](C)c4ccccc4)c3)ccnc2cc1C
InChIInChI=1S/C26H24N2O3/c1-17-14-23-22(16-25(17)30-3)24(12-13-27-23)31-21-11-7-10-20(15-21)26(29)28-18(2)19-8-5-4-6-9-19/h4-16,18H,1-3H3,(H,28,29)/t18-/m1/s1
InChIKeyXDZWOWWGGVRORC-GOSISDBHSA-N
XLogP5.84
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 ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-3-pyrimidin-2-yloxybenzamide
CID 70703950
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
4-methoxy-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 40950006
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate
CID 139803936
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate
CID 139803948
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
N-[1-(3-methoxyphenyl)ethyl]quinoline-6-carboxamide
CID 69276532
3-methoxy-N-[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide
CID 122195499

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide (CID 167614869) is 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide is COc1cc2c(Oc3cccc(C(=O)N[C@H](C)c4ccccc4)c3)ccnc2cc1C.
What is the InChIKey of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is XDZWOWWGGVRORC-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-17-14-23-22(16-25(17)30-3)24(12-13-27-23)31-21-11-7-10-20(15-21)26(29)28-18(2)19-8-5-4-6-9-19/h4-16,18H,1-3H3,(H,28,29)/t18-/m1/s1.
What are the key properties of 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide?
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 412.49 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 167614869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).