ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate

C12H16N2O2 — CID 62265682

IUPACethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)14-7-3-4-9-5-6-10(13)8-11(9)14/h5-6,8H,2-4,7,13H2,1H3
InChIKeyMXDQMWHAXGYMIN-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.18
Rot. Bonds1

About ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate

ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 62265682) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID62265682
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1CCCc2ccc(N)cc21
InChIInChI=1S/C12H16N2O2/c1-2-16-12(15)14-7-3-4-9-5-6-10(13)8-11(9)14/h5-6,8H,2-4,7,13H2,1H3
InChIKeyMXDQMWHAXGYMIN-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 28707153
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-3-methoxypropan-1-one
CID 55091829
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
ethyl N-[(7-amino-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]carbamate
CID 114461698
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 62266900
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107687651
2-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-N,N-diethylacetamide
CID 62266731
1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 80744116
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65205924
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(6-methyl-2-pyridinyl)methanone
CID 62265851

Frequently Asked Questions

What is the IUPAC name of ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate (CID 62265682) is ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate is CCOC(=O)N1CCCc2ccc(N)cc21.
What is the InChIKey of ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is MXDQMWHAXGYMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-16-12(15)14-7-3-4-9-5-6-10(13)8-11(9)14/h5-6,8H,2-4,7,13H2,1H3.
What are the key properties of ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate?
ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-amino-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 62265682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).