ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate

C16H30N2O4 — CID 163116780

IUPACethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
SMILESCCOC(=O)C1CNC2CCC(OC)CC2C1NCC(C)O
InChIInChI=1S/C16H30N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h10-15,17-19H,4-9H2,1-3H3
InChIKeyYOSVPRBWQMKFFO-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.29
Rot. Bonds6

About ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate

ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate (PubChem CID 163116780) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
PubChem CID163116780
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nameethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate
SMILESCCOC(=O)C1CNC2CCC(OC)CC2C1NCC(C)O
InChIInChI=1S/C16H30N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h10-15,17-19H,4-9H2,1-3H3
InChIKeyYOSVPRBWQMKFFO-UHFFFAOYSA-N
XLogP0.29
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid
CID 163133417
diethyl (4R,4aR,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4,6-dicarboxylate
CID 125492924
ethyl 4-methoxypyrrolidine-2-carboxylate
CID 43119085
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
ethyl (2R,3S,4R)-3-(2-methylpropylamino)bicyclo[2.2.1]heptane-2-carboxylate
CID 145490789
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561
ethyl (1R,4S,7S)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 11423819
[4-(methylamino)-6-propan-2-yloxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-3-yl]methanol
CID 163846252
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
ethyl (3R,4R)-4-methoxypyrrolidine-3-carboxylate
CID 167739334
ethyl (1R,4S,5S)-2-azabicyclo[2.1.1]hexane-5-carboxylate
CID 167717775

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate (CID 163116780) is ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate is CCOC(=O)C1CNC2CCC(OC)CC2C1NCC(C)O.
What is the InChIKey of ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
The InChIKey is YOSVPRBWQMKFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-4-22-16(20)13-9-17-14-6-5-11(21-3)7-12(14)15(13)18-8-10(2)19/h10-15,17-19H,4-9H2,1-3H3.
What are the key properties of ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate?
ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxypropylamino)-6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylate is sourced from PubChem (CID 163116780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).