2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C16H19N3O — CID 103001686

IUPAC2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1ccc2c(N3CC4CCC(O)C4C3)ccnc2c1
InChIInChI=1S/C16H19N3O/c17-11-2-3-12-14(7-11)18-6-5-15(12)19-8-10-1-4-16(20)13(10)9-19/h2-3,5-7,10,13,16,20H,1,4,8-9,17H2
InChIKeyAYYUTUCQWYHAQH-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.02
Rot. Bonds1

About 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 103001686) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID103001686
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1ccc2c(N3CC4CCC(O)C4C3)ccnc2c1
InChIInChI=1S/C16H19N3O/c17-11-2-3-12-14(7-11)18-6-5-15(12)19-8-10-1-4-16(20)13(10)9-19/h2-3,5-7,10,13,16,20H,1,4,8-9,17H2
InChIKeyAYYUTUCQWYHAQH-UHFFFAOYSA-N
XLogP2.02
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol with MolForge

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Related Compounds

2-(2-amino-3-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 104540689
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
4-(3-propylpyrrolidin-1-yl)quinolin-7-amine
CID 103001744
2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
CID 103000800
2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103001618
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
CID 103000935
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
CID 113399435
4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine
CID 103002037
methyl 4-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]quinoline-6-carboxylate
CID 155961103
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 103001686) is 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Nc1ccc2c(N3CC4CCC(O)C4C3)ccnc2c1.
What is the InChIKey of 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is AYYUTUCQWYHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-11-2-3-12-14(7-11)18-6-5-15(12)19-8-10-1-4-16(20)13(10)9-19/h2-3,5-7,10,13,16,20H,1,4,8-9,17H2.
What are the key properties of 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 269.35 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 103001686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).