N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide

C28H27N3O5 — CID 20922034

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
SMILESCCc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1
InChIInChI=1S/C28H27N3O5/c1-3-18-4-7-21(8-5-18)29-15-20-12-19-6-10-23(34-2)14-24(19)31(28(20)33)16-27(32)30-22-9-11-25-26(13-22)36-17-35-25/h4-14,29H,3,15-17H2,1-2H3,(H,30,32)
InChIKeyNHDDADNLWUSOID-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.55
Rot. Bonds8

About N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide (PubChem CID 20922034) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
PubChem CID20922034
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
SMILESCCc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1
InChIInChI=1S/C28H27N3O5/c1-3-18-4-7-21(8-5-18)29-15-20-12-19-6-10-23(34-2)14-24(19)31(28(20)33)16-27(32)30-22-9-11-25-26(13-22)36-17-35-25/h4-14,29H,3,15-17H2,1-2H3,(H,30,32)
InChIKeyNHDDADNLWUSOID-UHFFFAOYSA-N
XLogP4.55
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[8-[(4-ethylanilino)methyl]-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(3-ethylphenyl)acetamide
CID 20922088
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(4-methoxyphenyl)acetamide
CID 18591671
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
N-(3,5-dimethylphenyl)-2-[8-[(4-ethylanilino)methyl]-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]acetamide
CID 16956226
2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
CID 18591309
2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 161401893
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 18591162
2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 161123821
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713
2-[8-[(4-ethylanilino)methyl]-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 16832124
2-[3-[(3,4-dimethoxyanilino)methyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 18592297

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide (CID 20922034) is N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide is CCc1ccc(NCc2cc3ccc(OC)cc3n(CC(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide?
The InChIKey is NHDDADNLWUSOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-3-18-4-7-21(8-5-18)29-15-20-12-19-6-10-23(34-2)14-24(19)31(28(20)33)16-27(32)30-22-9-11-25-26(13-22)36-17-35-25/h4-14,29H,3,15-17H2,1-2H3,(H,30,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 20922034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).