tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

C25H33N3O4 — CID 166560623

IUPACtert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCOc1cc2nc3c(c(NC4CC5(C4)CN(C(=O)OC(C)(C)C)C5)c2cc1OC)CCC3
InChIInChI=1S/C25H33N3O4/c1-24(2,3)32-23(29)28-13-25(14-28)11-15(12-25)26-22-16-7-6-8-18(16)27-19-10-21(31-5)20(30-4)9-17(19)22/h9-10,15H,6-8,11-14H2,1-5H3,(H,26,27)
InChIKeyFPMXCBPNWNBJSP-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.55
Rot. Bonds4

About tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (PubChem CID 166560623) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
PubChem CID166560623
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Nametert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
SMILESCOc1cc2nc3c(c(NC4CC5(C4)CN(C(=O)OC(C)(C)C)C5)c2cc1OC)CCC3
InChIInChI=1S/C25H33N3O4/c1-24(2,3)32-23(29)28-13-25(14-28)11-15(12-25)26-22-16-7-6-8-18(16)27-19-10-21(31-5)20(30-4)9-17(19)22/h9-10,15H,6-8,11-14H2,1-5H3,(H,26,27)
InChIKeyFPMXCBPNWNBJSP-UHFFFAOYSA-N
XLogP4.55
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560553
2-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]piperidin-1-yl]ethanol
CID 147327134
1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone
CID 166560744
6-ethoxy-N-(1-ethylpiperidin-4-yl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560804
N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 153164660
6,7-dimethoxy-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62203771
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
CID 130345867
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]-1-methylpiperidin-2-one
CID 130345852
3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol
CID 166560768
6-chloro-7-methoxy-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroacridin-9-amine
CID 166560741
3-[4-[(2,3-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-yl)amino]piperidin-1-yl]propanenitrile
CID 166560557
3-[[9-(cyclopropylmethylamino)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propanamide
CID 155284240

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate (CID 166560623) is tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is COc1cc2nc3c(c(NC4CC5(C4)CN(C(=O)OC(C)(C)C)C5)c2cc1OC)CCC3.
What is the InChIKey of tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
The InChIKey is FPMXCBPNWNBJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-24(2,3)32-23(29)28-13-25(14-28)11-15(12-25)26-22-16-7-6-8-18(16)27-19-10-21(31-5)20(30-4)9-17(19)22/h9-10,15H,6-8,11-14H2,1-5H3,(H,26,27).
What are the key properties of tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate has a molecular weight of 439.56 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]-2-azaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 166560623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).