N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide

C26H31N3O4 — CID 42396895

IUPACN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2cc3ccc(C)cc3nc2N(C)C)C2CC2)cc(OC)c1OC
InChIInChI=1S/C26H31N3O4/c1-16-7-8-17-12-19(25(28(2)3)27-21(17)11-16)15-29(20-9-10-20)26(30)18-13-22(31-4)24(33-6)23(14-18)32-5/h7-8,11-14,20H,9-10,15H2,1-6H3
InChIKeyDCWIJQZQUJTRSZ-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.44
Rot. Bonds8

About N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide

N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 42396895) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID42396895
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N(Cc2cc3ccc(C)cc3nc2N(C)C)C2CC2)cc(OC)c1OC
InChIInChI=1S/C26H31N3O4/c1-16-7-8-17-12-19(25(28(2)3)27-21(17)11-16)15-29(20-9-10-20)26(30)18-13-22(31-4)24(33-6)23(14-18)32-5/h7-8,11-14,20H,9-10,15H2,1-6H3
InChIKeyDCWIJQZQUJTRSZ-UHFFFAOYSA-N
XLogP4.44
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide (CID 42396895) is N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N(Cc2cc3ccc(C)cc3nc2N(C)C)C2CC2)cc(OC)c1OC.
What is the InChIKey of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is DCWIJQZQUJTRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-16-7-8-17-12-19(25(28(2)3)27-21(17)11-16)15-29(20-9-10-20)26(30)18-13-22(31-4)24(33-6)23(14-18)32-5/h7-8,11-14,20H,9-10,15H2,1-6H3.
What are the key properties of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide?
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 449.55 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 42396895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).