N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide

C30H30N2O4 — CID 26342096

IUPACN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2-c2cc(OC)ccc2OC)C2CC2)cc1
InChIInChI=1S/C30H30N2O4/c1-19-6-5-7-21-16-22(29(31-28(19)21)26-17-25(35-3)14-15-27(26)36-4)18-32(23-10-11-23)30(33)20-8-12-24(34-2)13-9-20/h5-9,12-17,23H,10-11,18H2,1-4H3
InChIKeyGSGMFSKOHYDAQL-UHFFFAOYSA-N
MW482.58 g/mol
LogP6.04
Rot. Bonds8

About N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide

N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide (PubChem CID 26342096) has the molecular formula C30H30N2O4 and a molecular weight of 482.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
PubChem CID26342096
Molecular FormulaC30H30N2O4
Molecular Weight482.58 g/mol
Exact Mass482.22
IUPAC NameN-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2-c2cc(OC)ccc2OC)C2CC2)cc1
InChIInChI=1S/C30H30N2O4/c1-19-6-5-7-21-16-22(29(31-28(19)21)26-17-25(35-3)14-15-27(26)36-4)18-32(23-10-11-23)30(33)20-8-12-24(34-2)13-9-20/h5-9,12-17,23H,10-11,18H2,1-4H3
InChIKeyGSGMFSKOHYDAQL-UHFFFAOYSA-N
XLogP6.04
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-3-fluorobenzamide
CID 42328264
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-ethyl-N-(furan-2-ylmethyl)butanamide
CID 56858761
N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide
CID 42364369
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 33078482
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42428711
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-nitrobenzamide
CID 33078016
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 33081136
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-(ethylsulfanylmethyl)benzamide
CID 55872323
N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-4-(trifluoromethoxy)benzamide
CID 32588865

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide (CID 26342096) is N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2-c2cc(OC)ccc2OC)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide?
The InChIKey is GSGMFSKOHYDAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4/c1-19-6-5-7-21-16-22(29(31-28(19)21)26-17-25(35-3)14-15-27(26)36-4)18-32(23-10-11-23)30(33)20-8-12-24(34-2)13-9-20/h5-9,12-17,23H,10-11,18H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide?
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide has a molecular weight of 482.58 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-4-methoxybenzamide is sourced from PubChem (CID 26342096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).