N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide

C21H30ClN3O2 — CID 29084490

IUPACN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide
SMILESCCC(CC)C(=O)N(CCOC)Cc1cc2ccc(Cl)cc2nc1N(C)C
InChIInChI=1S/C21H30ClN3O2/c1-6-15(7-2)21(26)25(10-11-27-5)14-17-12-16-8-9-18(22)13-19(16)23-20(17)24(3)4/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3
InChIKeyXPUKAKSMTALHDS-UHFFFAOYSA-N
MW391.94 g/mol
LogP4.37
Rot. Bonds9

About N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide

N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide (PubChem CID 29084490) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide.

Molecular Properties

Compound NameN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide
PubChem CID29084490
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC NameN-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide
SMILESCCC(CC)C(=O)N(CCOC)Cc1cc2ccc(Cl)cc2nc1N(C)C
InChIInChI=1S/C21H30ClN3O2/c1-6-15(7-2)21(26)25(10-11-27-5)14-17-12-16-8-9-18(22)13-19(16)23-20(17)24(3)4/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3
InChIKeyXPUKAKSMTALHDS-UHFFFAOYSA-N
XLogP4.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 26274431
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)acetamide
CID 56855963
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 126464206
1-(4-chlorophenyl)-N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 26326793
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-2-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)acetamide
CID 42370856
N-[[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl]-N-(2-methoxyethyl)-5-phenylpyrazolidine-3-carboxamide
CID 74787202
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 3216975
N-[[7-chloro-2-(3-methylphenyl)quinolin-3-yl]methyl]-N-(2-methoxyethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 42406669
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 42815460
4-chloro-2-[[2-methoxyethyl(methyl)amino]methyl]phenol
CID 46840087
2,7-dichloro-3-ethylquinoline
CID 39346010
N-[(6-chloroquinolin-2-yl)methyl]-N-ethyl-2-methoxyethanamine
CID 91774737

Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
The IUPAC name of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide (CID 29084490) is N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide.
What is the SMILES notation for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
The canonical SMILES for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide is CCC(CC)C(=O)N(CCOC)Cc1cc2ccc(Cl)cc2nc1N(C)C.
What is the InChIKey of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
The InChIKey is XPUKAKSMTALHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c1-6-15(7-2)21(26)25(10-11-27-5)14-17-12-16-8-9-18(22)13-19(16)23-20(17)24(3)4/h8-9,12-13,15H,6-7,10-11,14H2,1-5H3.
What are the key properties of N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide?
N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide has a molecular weight of 391.94 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-2-(dimethylamino)quinolin-3-yl]methyl]-2-ethyl-N-(2-methoxyethyl)butanamide is sourced from PubChem (CID 29084490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).