N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide

C21H22N2O4 — CID 1427743

IUPACN-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)=O)cc1
InChIInChI=1S/C21H22N2O4/c1-4-27-18-7-5-17(6-8-18)23(14(2)24)13-16-11-15-12-19(26-3)9-10-20(15)22-21(16)25/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyKECGUNKUAANQKY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.49
Rot. Bonds6

About N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide

N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide (PubChem CID 1427743) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
PubChem CID1427743
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
SMILESCCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)=O)cc1
InChIInChI=1S/C21H22N2O4/c1-4-27-18-7-5-17(6-8-18)23(14(2)24)13-16-11-15-12-19(26-3)9-10-20(15)22-21(16)25/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyKECGUNKUAANQKY-UHFFFAOYSA-N
XLogP3.49
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2753
K-134
CID 9908900
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CID 648601
Sembragiline
CID 10246762
Toborinone
CID 60790
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
2-Hydroxy-6-methoxy-4-methylquinoline
CID 220017
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-[(4-methoxyphenoxy)methyl]quinolin-2(1H)-one
CID 1508968
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide (CID 1427743) is N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide is CCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
The InChIKey is KECGUNKUAANQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-27-18-7-5-17(6-8-18)23(14(2)24)13-16-11-15-12-19(26-3)9-10-20(15)22-21(16)25/h5-12H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide?
N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 1427743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).