2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide

C29H29N3O3 — CID 167602082

IUPAC2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4cccc(N5CCOCC5)c4)c3C)ccnc2c1
InChIInChI=1S/C29H29N3O3/c1-20-9-10-25-26(17-20)30-12-11-28(25)35-27-8-4-7-24(21(27)2)29(33)31-19-22-5-3-6-23(18-22)32-13-15-34-16-14-32/h3-12,17-18H,13-16,19H2,1-2H3,(H,31,33)
InChIKeyJWLSSAKFGJUNFY-UHFFFAOYSA-N
MW467.57 g/mol
LogP5.41
Rot. Bonds6

About 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide

2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide (PubChem CID 167602082) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
PubChem CID167602082
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide
SMILESCc1ccc2c(Oc3cccc(C(=O)NCc4cccc(N5CCOCC5)c4)c3C)ccnc2c1
InChIInChI=1S/C29H29N3O3/c1-20-9-10-25-26(17-20)30-12-11-28(25)35-27-8-4-7-24(21(27)2)29(33)31-19-22-5-3-6-23(18-22)32-13-15-34-16-14-32/h3-12,17-18H,13-16,19H2,1-2H3,(H,31,33)
InChIKeyJWLSSAKFGJUNFY-UHFFFAOYSA-N
XLogP5.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-acetylphenyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167629765
N-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167674859
N-[[2-(4-fluoropiperidine-1-carbonyl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167636843
ethane;3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 155779132
N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561865
N-[(3,5-dichloro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167638002
3-[7-(dimethylamino)quinolin-4-yl]oxy-N-[(3-fluorophenyl)methyl]-2-methylbenzamide
CID 155778829
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide
CID 167561863
3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155778961
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 155779221
3-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 155779109
ethyl 2-methyl-3-(7-methylquinolin-4-yl)oxybenzoate
CID 167643901

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide?
The IUPAC name of 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide (CID 167602082) is 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide.
What is the SMILES notation for 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide?
The canonical SMILES for 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide is Cc1ccc2c(Oc3cccc(C(=O)NCc4cccc(N5CCOCC5)c4)c3C)ccnc2c1.
What is the InChIKey of 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide?
The InChIKey is JWLSSAKFGJUNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-20-9-10-25-26(17-20)30-12-11-28(25)35-27-8-4-7-24(21(27)2)29(33)31-19-22-5-3-6-23(18-22)32-13-15-34-16-14-32/h3-12,17-18H,13-16,19H2,1-2H3,(H,31,33).
What are the key properties of 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide?
2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(7-methylquinolin-4-yl)oxy-N-[(3-morpholin-4-ylphenyl)methyl]benzamide is sourced from PubChem (CID 167602082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).