ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate

C20H22N2O3 — CID 123208013

IUPACethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)C(N)CCN3C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-20(24)15-6-4-14(5-7-15)16-8-9-19-17(12-16)18(21)10-11-22(19)13(2)23/h4-9,12,18H,3,10-11,21H2,1-2H3
InChIKeyFWPPSMNODUBCIM-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.29
Rot. Bonds3

About ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate

ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate (PubChem CID 123208013) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate
PubChem CID123208013
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Nameethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc3c(c2)C(N)CCN3C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-3-25-20(24)15-6-4-14(5-7-15)16-8-9-19-17(12-16)18(21)10-11-22(19)13(2)23/h4-9,12,18H,3,10-11,21H2,1-2H3
InChIKeyFWPPSMNODUBCIM-UHFFFAOYSA-N
XLogP3.29
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 59657880
6-ethoxycarbonylazulene-2-carboxylic acid
CID 90906304
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487
ethyl 4-(3-hydroxy-4-methoxyphenyl)benzoate
CID 53221031
ethyl 4-(4-trimethylsilylphenyl)benzoate
CID 162408252
6-ethoxycarbonylazulene-2-carboxylate
CID 101434282
ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 90428501
ethyl 4-(4-sulfanylphenyl)benzoate
CID 70674807
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate?
The IUPAC name of ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate (CID 123208013) is ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate.
What is the SMILES notation for ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate?
The canonical SMILES for ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate is CCOC(=O)c1ccc(-c2ccc3c(c2)C(N)CCN3C(C)=O)cc1.
What is the InChIKey of ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate?
The InChIKey is FWPPSMNODUBCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-25-20(24)15-6-4-14(5-7-15)16-8-9-19-17(12-16)18(21)10-11-22(19)13(2)23/h4-9,12,18H,3,10-11,21H2,1-2H3.
What are the key properties of ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate?
ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate has a molecular weight of 338.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate is sourced from PubChem (CID 123208013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).