N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide

C19H23ClN2O2 — CID 3216900

IUPACN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1
InChIInChI=1S/C19H23ClN2O2/c1-12-4-5-15-10-16(18(20)21-17(15)13(12)2)11-22(8-9-24-3)19(23)14-6-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyBUTXRZDNIVKVJC-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.89
Rot. Bonds6

About N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide

N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (PubChem CID 3216900) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
PubChem CID3216900
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide
SMILESCOCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1
InChIInChI=1S/C19H23ClN2O2/c1-12-4-5-15-10-16(18(20)21-17(15)13(12)2)11-22(8-9-24-3)19(23)14-6-7-14/h4-5,10,14H,6-9,11H2,1-3H3
InChIKeyBUTXRZDNIVKVJC-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

N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 3216910
1-(2-Chloro-6,7-dimethyl-quinolin-3-ylmethyl)-1-(2-methoxy-ethyl)-3-phenyl-urea
CID 3216946
N-(2-Chloro-6-methyl-quinolin-3-ylmethyl)-2-methoxy-N-phenethyl-acetamide
CID 1459837
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)morpholine-4-carboxamide
CID 3216896
5-Bromo-1-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2-one
CID 9363322
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
1-[(2-Chloro-7,8-dimethylquinolin-3-yl)methyl]piperidine-2-carboxamide
CID 17558480
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)acetamide
CID 3216943
(4S)-1-(2-methoxyethyl)-4-[(4,7,8-trimethylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 100033893
N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-2-methoxyethylamine
CID 11173508
1-[(2-Chloro-7,8-dimethylquinolin-3-yl)methyl]pyridin-2(1H)-one
CID 91487898

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The IUPAC name of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide (CID 3216900) is N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The canonical SMILES for N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide is COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)C1CC1.
What is the InChIKey of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
The InChIKey is BUTXRZDNIVKVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-12-4-5-15-10-16(18(20)21-17(15)13(12)2)11-22(8-9-24-3)19(23)14-6-7-14/h4-5,10,14H,6-9,11H2,1-3H3.
What are the key properties of N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide?
N-[(2-chloro-7,8-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-7,8-dimethylquinolin-3-yl)methyl]-N-(2-methoxyethyl)cyclopropanecarboxamide is sourced from PubChem (CID 3216900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).