1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone

C28H33N3O4 — CID 166560744

IUPAC1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1cc2nc3c(c(NC4CCN(C(=O)COCc5ccccc5)CC4)c2cc1OC)CCC3
InChIInChI=1S/C28H33N3O4/c1-33-25-15-22-24(16-26(25)34-2)30-23-10-6-9-21(23)28(22)29-20-11-13-31(14-12-20)27(32)18-35-17-19-7-4-3-5-8-19/h3-5,7-8,15-16,20H,6,9-14,17-18H2,1-2H3,(H,29,30)
InChIKeyITHQEYNXEPVVCU-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.36
Rot. Bonds8

About 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone

1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 166560744) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID166560744
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone
SMILESCOc1cc2nc3c(c(NC4CCN(C(=O)COCc5ccccc5)CC4)c2cc1OC)CCC3
InChIInChI=1S/C28H33N3O4/c1-33-25-15-22-24(16-26(25)34-2)30-23-10-6-9-21(23)28(22)29-20-11-13-31(14-12-20)27(32)18-35-17-19-7-4-3-5-8-19/h3-5,7-8,15-16,20H,6,9-14,17-18H2,1-2H3,(H,29,30)
InChIKeyITHQEYNXEPVVCU-UHFFFAOYSA-N
XLogP4.36
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone 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

2-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]piperidin-1-yl]ethanol
CID 147327134
N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 153164660
6-ethoxy-N-(1-ethylpiperidin-4-yl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560804
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560553
3-[4-[(2,3-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-yl)amino]piperidin-1-yl]propanenitrile
CID 166560557
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
6-ethyl-7-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560652
6-chloro-7-methoxy-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroacridin-9-amine
CID 166560741
2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile
CID 166560629
9-[(1-ethylpiperidin-4-yl)amino]-2-methoxy-5,6,7,8-tetrahydroacridine-3-carbonitrile
CID 166560815
N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 148717078
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone (CID 166560744) is 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone is COc1cc2nc3c(c(NC4CCN(C(=O)COCc5ccccc5)CC4)c2cc1OC)CCC3.
What is the InChIKey of 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is ITHQEYNXEPVVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-33-25-15-22-24(16-26(25)34-2)30-23-10-6-9-21(23)28(22)29-20-11-13-31(14-12-20)27(32)18-35-17-19-7-4-3-5-8-19/h3-5,7-8,15-16,20H,6,9-14,17-18H2,1-2H3,(H,29,30).
What are the key properties of 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone?
1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 475.59 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 166560744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).