N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide

C23H25ClN2O3 — CID 1460030

IUPACN-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc2nc(Cl)c(CN(CCc3ccccc3)C(=O)COC)cc2c1
InChIInChI=1S/C23H25ClN2O3/c1-3-29-20-9-10-21-18(14-20)13-19(23(24)25-21)15-26(22(27)16-28-2)12-11-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12,15-16H2,1-2H3
InChIKeyKPDHFGUJTGKOLW-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.50
Rot. Bonds9

About N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide

N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide (PubChem CID 1460030) has the molecular formula C23H25ClN2O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
PubChem CID1460030
Molecular FormulaC23H25ClN2O3
Molecular Weight412.92 g/mol
Exact Mass412.16
IUPAC NameN-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
SMILESCCOc1ccc2nc(Cl)c(CN(CCc3ccccc3)C(=O)COC)cc2c1
InChIInChI=1S/C23H25ClN2O3/c1-3-29-20-9-10-21-18(14-20)13-19(23(24)25-21)15-26(22(27)16-28-2)12-11-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12,15-16H2,1-2H3
InChIKeyKPDHFGUJTGKOLW-UHFFFAOYSA-N
XLogP4.50
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 3216975
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 1459994
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 3216958
N-[(2-chloroquinolin-3-yl)methyl]-N-(2-phenylethyl)tetradecanamide
CID 42706224
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
CID 3216967
N-benzyl-N-[(2-chloro-6-methylquinolin-3-yl)methyl]propanamide
CID 1459799
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-methoxy-N-(thiophen-2-ylmethyl)acetamide
CID 1459828
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-N-(thiophen-2-ylmethyl)cyclobutanecarboxamide
CID 1460017
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-2-fluoro-N-[(3-methylphenyl)methyl]benzamide
CID 3229754
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1459958
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide (CID 1460030) is N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide is CCOc1ccc2nc(Cl)c(CN(CCc3ccccc3)C(=O)COC)cc2c1.
What is the InChIKey of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide?
The InChIKey is KPDHFGUJTGKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O3/c1-3-29-20-9-10-21-18(14-20)13-19(23(24)25-21)15-26(22(27)16-28-2)12-11-17-7-5-4-6-8-17/h4-10,13-14H,3,11-12,15-16H2,1-2H3.
What are the key properties of N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide?
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide has a molecular weight of 412.92 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 1460030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).