N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide

C23H25ClN2O4 — CID 3216967

IUPACN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCOC)Cc2cc3cc(OC)ccc3nc2Cl)cc1
InChIInChI=1S/C23H25ClN2O4/c1-4-30-19-7-5-16(6-8-19)23(27)26(11-12-28-2)15-18-13-17-14-20(29-3)9-10-21(17)25-22(18)24/h5-10,13-14H,4,11-12,15H2,1-3H3
InChIKeyGFCQRCPWPPMRSU-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.58
Rot. Bonds9

About N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide

N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide (PubChem CID 3216967) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
PubChem CID3216967
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC NameN-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide
SMILESCCOc1ccc(C(=O)N(CCOC)Cc2cc3cc(OC)ccc3nc2Cl)cc1
InChIInChI=1S/C23H25ClN2O4/c1-4-30-19-7-5-16(6-8-19)23(27)26(11-12-28-2)15-18-13-17-14-20(29-3)9-10-21(17)25-22(18)24/h5-10,13-14H,4,11-12,15H2,1-3H3
InChIKeyGFCQRCPWPPMRSU-UHFFFAOYSA-N
XLogP4.58
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1459958
N-[(2-chloro-6-ethoxyquinolin-3-yl)methyl]-2-methoxy-N-(2-phenylethyl)acetamide
CID 1460030
N-[(2-chloro-5,7-dimethylquinolin-3-yl)methyl]-3,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 3216915
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 42815459
N-[(2-chloro-6-methylquinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1459808
N-butyl-N-[(2-chloroquinolin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 42706440
2-chloro-6-methoxy-3-propylquinoline
CID 63231530
N-(2-hydroxyethyl)-4-methoxy-N-(2-methoxyethyl)benzamide
CID 113339829
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylbenzamide
CID 3229697

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide (CID 3216967) is N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide is CCOc1ccc(C(=O)N(CCOC)Cc2cc3cc(OC)ccc3nc2Cl)cc1.
What is the InChIKey of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is GFCQRCPWPPMRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-4-30-19-7-5-16(6-8-19)23(27)26(11-12-28-2)15-18-13-17-14-20(29-3)9-10-21(17)25-22(18)24/h5-10,13-14H,4,11-12,15H2,1-3H3.
What are the key properties of N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide?
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 428.92 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-4-ethoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3216967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).