ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate

C24H28N2O4 — CID 15485715

IUPACethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc3c(cc2[C@@H](NC(=O)OCc2ccccc2)C[C@H]1C)CCC3
InChIInChI=1S/C24H28N2O4/c1-3-29-24(28)26-16(2)12-21(20-13-18-10-7-11-19(18)14-22(20)26)25-23(27)30-15-17-8-5-4-6-9-17/h4-6,8-9,13-14,16,21H,3,7,10-12,15H2,1-2H3,(H,25,27)/t16-,21+/m1/s1
InChIKeySUQVXMUAEGWYQJ-IERDGZPVSA-N
MW408.50 g/mol
LogP4.90
Rot. Bonds4

About ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate

ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate (PubChem CID 15485715) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
PubChem CID15485715
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Nameethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc3c(cc2[C@@H](NC(=O)OCc2ccccc2)C[C@H]1C)CCC3
InChIInChI=1S/C24H28N2O4/c1-3-29-24(28)26-16(2)12-21(20-13-18-10-7-11-19(18)14-22(20)26)25-23(27)30-15-17-8-5-4-6-9-17/h4-6,8-9,13-14,16,21H,3,7,10-12,15H2,1-2H3,(H,25,27)/t16-,21+/m1/s1
InChIKeySUQVXMUAEGWYQJ-IERDGZPVSA-N
XLogP4.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate with MolForge

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Related Compounds

ethyl 4-amino-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
CID 57155777
benzyl N-[1-(4-fluorobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 68918237
benzyl N-[1-(6-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
CID 87624420
ethyl (2R,4S)-4-[benzyl(phenylmethoxycarbonyl)amino]-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 54555580
benzyl 2-ethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 66932534
benzyl N-(2-methyl-5,6-dihydro-4H-imidazo[1,2-a][1]benzazepin-4-yl)carbamate
CID 58304090
benzyl N-[(1S)-2-oxocyclohexyl]carbamate
CID 14219049
ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylsulfanylcarbonylamino]-2-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate
CID 57022744
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(7-methyl-2,3-dihydro-1H-inden-1-yl)carbamate
CID 167740174
benzyl N-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)carbamate
CID 110751410

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
The IUPAC name of ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate (CID 15485715) is ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate.
What is the SMILES notation for ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
The canonical SMILES for ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate is CCOC(=O)N1c2cc3c(cc2[C@@H](NC(=O)OCc2ccccc2)C[C@H]1C)CCC3.
What is the InChIKey of ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
The InChIKey is SUQVXMUAEGWYQJ-IERDGZPVSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-29-24(28)26-16(2)12-21(20-13-18-10-7-11-19(18)14-22(20)26)25-23(27)30-15-17-8-5-4-6-9-17/h4-6,8-9,13-14,16,21H,3,7,10-12,15H2,1-2H3,(H,25,27)/t16-,21+/m1/s1.
What are the key properties of ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate?
ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate has a molecular weight of 408.50 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4S)-2-methyl-4-(phenylmethoxycarbonylamino)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinoline-1-carboxylate is sourced from PubChem (CID 15485715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).