N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C22H29N3O2 — CID 166560553

IUPACN-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2nc3c(c(N[C@H]4CCN(C5CCC5)C4)c2cc1OC)CCC3
InChIInChI=1S/C22H29N3O2/c1-26-20-11-17-19(12-21(20)27-2)24-18-8-4-7-16(18)22(17)23-14-9-10-25(13-14)15-5-3-6-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyVOXKEAMLEOIFKA-AWEZNQCLSA-N
MW367.49 g/mol
LogP3.78
Rot. Bonds5

About N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 166560553) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID166560553
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2nc3c(c(N[C@H]4CCN(C5CCC5)C4)c2cc1OC)CCC3
InChIInChI=1S/C22H29N3O2/c1-26-20-11-17-19(12-21(20)27-2)24-18-8-4-7-16(18)22(17)23-14-9-10-25(13-14)15-5-3-6-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyVOXKEAMLEOIFKA-AWEZNQCLSA-N
XLogP3.78
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine with MolForge

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 148717078
6-ethoxy-N-(1-ethylpiperidin-4-yl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560804
2-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]piperidin-1-yl]ethanol
CID 147327134
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 153164660
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
8,9-dimethoxy-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 166560820
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]-1-methylpiperidin-2-one
CID 130345852
2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile
CID 166560629
6-ethyl-7-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560652
1-[4-[(6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)amino]piperidin-1-yl]-2-phenylmethoxyethanone
CID 166560744

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 166560553) is N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1cc2nc3c(c(N[C@H]4CCN(C5CCC5)C4)c2cc1OC)CCC3.
What is the InChIKey of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is VOXKEAMLEOIFKA-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-26-20-11-17-19(12-21(20)27-2)24-18-8-4-7-16(18)22(17)23-14-9-10-25(13-14)15-5-3-6-15/h11-12,14-15H,3-10,13H2,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 367.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 166560553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).