7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide

C23H26N2O3 — CID 55868189

IUPAC7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCCOc3ccc(C)cc3)c(C)nc2c1
InChIInChI=1S/C23H26N2O3/c1-16-6-9-19(10-7-16)28-13-5-4-12-24-23(26)21-14-18-8-11-20(27-3)15-22(18)25-17(21)2/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeyXXYSGEJTHOGFBX-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.45
Rot. Bonds8

About 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide

7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide (PubChem CID 55868189) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
PubChem CID55868189
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCCOc3ccc(C)cc3)c(C)nc2c1
InChIInChI=1S/C23H26N2O3/c1-16-6-9-19(10-7-16)28-13-5-4-12-24-23(26)21-14-18-8-11-20(27-3)15-22(18)25-17(21)2/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26)
InChIKeyXXYSGEJTHOGFBX-UHFFFAOYSA-N
XLogP4.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78854787
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 33323552
N-(2-hydroxypropyl)-7-methoxy-2-methylquinoline-3-carboxamide
CID 78856115
N-(3-hydroxypropyl)-2,7-dimethylquinoline-3-carboxamide
CID 78870006
N-(3-butoxypropyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33220870
7-methoxy-2-methyl-N-[3-oxo-3-(pyridin-2-ylamino)propyl]quinoline-3-carboxamide
CID 47056292
7-methoxy-2-methyl-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 17397255
3-[(7-methoxy-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 120525822
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
CID 56812703
N-ethoxy-7-methoxy-2-methylquinoline-3-carboxamide
CID 18169112
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 55958782

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide (CID 55868189) is 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)NCCCCOc3ccc(C)cc3)c(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide?
The InChIKey is XXYSGEJTHOGFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-6-9-19(10-7-16)28-13-5-4-12-24-23(26)21-14-18-8-11-20(27-3)15-22(18)25-17(21)2/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,24,26).
What are the key properties of 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide?
7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-[4-(4-methylphenoxy)butyl]quinoline-3-carboxamide is sourced from PubChem (CID 55868189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).