3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol

C23H26N4O3 — CID 166560768

IUPAC3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol
SMILESCOc1cc2nc3c(c(NCC4(O)CN(c5ccncc5)C4)c2cc1OC)CCC3
InChIInChI=1S/C23H26N4O3/c1-29-20-10-17-19(11-21(20)30-2)26-18-5-3-4-16(18)22(17)25-12-23(28)13-27(14-23)15-6-8-24-9-7-15/h6-11,28H,3-5,12-14H2,1-2H3,(H,25,26)
InChIKeyGXWNTIYOQJJWIC-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.80
Rot. Bonds6

About 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol

3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol (PubChem CID 166560768) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol.

Molecular Properties

Compound Name3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol
PubChem CID166560768
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol
SMILESCOc1cc2nc3c(c(NCC4(O)CN(c5ccncc5)C4)c2cc1OC)CCC3
InChIInChI=1S/C23H26N4O3/c1-29-20-10-17-19(11-21(20)30-2)26-18-5-3-4-16(18)22(17)25-12-23(28)13-27(14-23)15-6-8-24-9-7-15/h6-11,28H,3-5,12-14H2,1-2H3,(H,25,26)
InChIKeyGXWNTIYOQJJWIC-UHFFFAOYSA-N
XLogP2.80
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 137478936
6,7-dimethoxy-N-propyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62203771
1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol
CID 130345842
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
7-methoxy-N-(2-methylpropyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345712
6,7-dimethoxy-N-[[(3R)-6-methylpiperidin-3-yl]methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 167287067
N-ethyl-6-fluoro-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 103996744
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
7-methoxy-N-(2-methylbutyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345727
2-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]piperidin-1-yl]ethanol
CID 147327134
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
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 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol?
The IUPAC name of 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol (CID 166560768) is 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol.
What is the SMILES notation for 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol?
The canonical SMILES for 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol is COc1cc2nc3c(c(NCC4(O)CN(c5ccncc5)C4)c2cc1OC)CCC3.
What is the InChIKey of 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol?
The InChIKey is GXWNTIYOQJJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-10-17-19(11-21(20)30-2)26-18-5-3-4-16(18)22(17)25-12-23(28)13-27(14-23)15-6-8-24-9-7-15/h6-11,28H,3-5,12-14H2,1-2H3,(H,25,26).
What are the key properties of 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol?
3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol has a molecular weight of 406.49 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]methyl]-1-pyridin-4-ylazetidin-3-ol is sourced from PubChem (CID 166560768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).