ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate

C16H22N2O2 — CID 57155777

IUPACethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc3c(cc2C(N)CC1C)CCC3
InChIInChI=1S/C16H22N2O2/c1-3-20-16(19)18-10(2)7-14(17)13-8-11-5-4-6-12(11)9-15(13)18/h8-10,14H,3-7,17H2,1-2H3
InChIKeyBYVDSRWMTRAIED-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.93
Rot. Bonds1

About ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate

ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate (PubChem CID 57155777) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
PubChem CID57155777
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc3c(cc2C(N)CC1C)CCC3
InChIInChI=1S/C16H22N2O2/c1-3-20-16(19)18-10(2)7-14(17)13-8-11-5-4-6-12(11)9-15(13)18/h8-10,14H,3-7,17H2,1-2H3
InChIKeyBYVDSRWMTRAIED-UHFFFAOYSA-N
XLogP2.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2S,4R)-4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylic acid
CID 141019663
ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 15480678
ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
CID 15485715
ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylsulfanylcarbonylamino]-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
CID 57022744
ethyl (2S,4R)-4-cyano-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 90933478
1-(8-amino-6-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]quinolin-5-yl)ethanone
CID 67491052
ethyl 6,7-dimethoxy-2-methyl-4-[[(2,3,4,5,6-pentafluorobenzoyl)amino]methyl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 87907846
2,2,2-trideuterioethyl 4-amino-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 87493631
ethyl (2R,4R)-4-[(R)-[3,5-bis(trifluoromethyl)phenyl]-fluoromethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 11203234
ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 87907862
methyl 14-azatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,8,12-tetraene-14-carboxylate
CID 102138920
ethyl (2R,4S)-4-[(3,5-difluorophenyl)methyl-methoxycarbonylamino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 54150192

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
The IUPAC name of ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate (CID 57155777) is ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
The canonical SMILES for ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate is CCOC(=O)N1c2cc3c(cc2C(N)CC1C)CCC3.
What is the InChIKey of ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
The InChIKey is BYVDSRWMTRAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-20-16(19)18-10(2)7-14(17)13-8-11-5-4-6-12(11)9-15(13)18/h8-10,14H,3-7,17H2,1-2H3.
What are the key properties of ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate is sourced from PubChem (CID 57155777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).