N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide

C19H23ClN2O2 — CID 3216932

IUPACN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)C1CC1
InChIInChI=1S/C19H23ClN2O2/c1-12-8-13(2)17-15(9-12)10-16(18(20)21-17)11-22(6-7-24-3)19(23)14-4-5-14/h8-10,14H,4-7,11H2,1-3H3
InChIKeyDPLBGDRAOMRSSJ-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.89
Rot. Bonds6

About N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide

N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (PubChem CID 3216932) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
PubChem CID3216932
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)C1CC1
InChIInChI=1S/C19H23ClN2O2/c1-12-8-13(2)17-15(9-12)10-16(18(20)21-17)11-22(6-7-24-3)19(23)14-4-5-14/h8-10,14H,4-7,11H2,1-3H3
InChIKeyDPLBGDRAOMRSSJ-UHFFFAOYSA-N
XLogP3.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-Chloro-6,8-dimethyl-quinolin-3-ylmethyl)-1-(2-methoxy-ethyl)-3-phenyl-urea
CID 3216929
[2-(3-Chlorophenyl)-3,6,8-trimethylquinolin-4-yl]-morpholin-4-ylmethanone
CID 1218682
N-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-2-methoxy-N-phenethyl-acetamide
CID 1459837
1-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-1-(2-methoxy-ethyl)-3-o-tolyl-urea
CID 3216873
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 3216896
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 3216944
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)cyclopropanecarboxamide
CID 3227723
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-cyclopentylacetamide
CID 856829
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216943
4-[(2-Chloro-6-methyl-3-quinolyl)methyl]morpholine
CID 53483322
1-[(2-Chloro-8-methylquinolin-3-yl)methyl]pyridin-2(1H)-one
CID 91368638
1-[(2-Chloro-7-methyl-3-quinolyl)methyl]pyridin-2(1H)-one
CID 139078636

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The IUPAC name of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (CID 3216932) is N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide is COCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)C1CC1.
What is the InChIKey of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The InChIKey is DPLBGDRAOMRSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12-8-13(2)17-15(9-12)10-16(18(20)21-17)11-22(6-7-24-3)19(23)14-4-5-14/h8-10,14H,4-7,11H2,1-3H3.
What are the key properties of N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide is sourced from PubChem (CID 3216932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).