N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

C24H25N3O3 — CID 42397943

IUPACN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)c(N(C)C)nc2c1
InChIInChI=1S/C24H25N3O3/c1-15-4-5-16-11-18(23(26(2)3)25-20(16)10-15)13-27(19-7-8-19)24(28)17-6-9-21-22(12-17)30-14-29-21/h4-6,9-12,19H,7-8,13-14H2,1-3H3
InChIKeyKZMCCHLIQYKNFS-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.14
Rot. Bonds5

About N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 42397943) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID42397943
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc2cc(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)c(N(C)C)nc2c1
InChIInChI=1S/C24H25N3O3/c1-15-4-5-16-11-18(23(26(2)3)25-20(16)10-15)13-27(19-7-8-19)24(28)17-6-9-21-22(12-17)30-14-29-21/h4-6,9-12,19H,7-8,13-14H2,1-3H3
InChIKeyKZMCCHLIQYKNFS-UHFFFAOYSA-N
XLogP4.14
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 42397943) is N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc2cc(CN(C(=O)c3ccc4c(c3)OCO4)C3CC3)c(N(C)C)nc2c1.
What is the InChIKey of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is KZMCCHLIQYKNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-15-4-5-16-11-18(23(26(2)3)25-20(16)10-15)13-27(19-7-8-19)24(28)17-6-9-21-22(12-17)30-14-29-21/h4-6,9-12,19H,7-8,13-14H2,1-3H3.
What are the key properties of N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(dimethylamino)-7-methylquinolin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 42397943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).