[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol

C16H21N3O — CID 115358035

IUPAC[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1ccc(NCC2(CO)CCCC2)c2cccnc12
InChIInChI=1S/C16H21N3O/c17-13-5-6-14(12-4-3-9-18-15(12)13)19-10-16(11-20)7-1-2-8-16/h3-6,9,19-20H,1-2,7-8,10-11,17H2
InChIKeyILIPVXORCYOLNV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds4

About [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol

[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol (PubChem CID 115358035) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
PubChem CID115358035
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol
SMILESNc1ccc(NCC2(CO)CCCC2)c2cccnc12
InChIInChI=1S/C16H21N3O/c17-13-5-6-14(12-4-3-9-18-15(12)13)19-10-16(11-20)7-1-2-8-16/h3-6,9,19-20H,1-2,7-8,10-11,17H2
InChIKeyILIPVXORCYOLNV-UHFFFAOYSA-N
XLogP2.78
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(8-aminoquinolin-5-yl)amino]methyl]oxan-4-ol
CID 81134784
3-[[(8-aminoquinolin-5-yl)amino]methyl]oxolan-3-ol
CID 106099436
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234
3-[(8-aminoquinolin-5-yl)amino]-2-methylpropane-1,2-diol
CID 66170956
5-N-(cyclohexylmethyl)quinoline-5,8-diamine
CID 43449567
[1-[(8-aminoquinolin-4-yl)amino]cyclopentyl]methanol
CID 83060230
5-N-(3-pyrrolidin-1-ylpropyl)quinoline-5,8-diamine
CID 62991925
4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
CID 105413899
4-N-[(2-methyloxolan-2-yl)methyl]quinoline-4,8-diamine
CID 83061056
[1-[[(3-fluoro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 115360754
[1-[(2-amino-5-bromoanilino)methyl]cyclopentyl]methanol
CID 115358053
[1-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103965467

Frequently Asked Questions

What is the IUPAC name of [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol?
The IUPAC name of [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol (CID 115358035) is [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol is Nc1ccc(NCC2(CO)CCCC2)c2cccnc12.
What is the InChIKey of [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol?
The InChIKey is ILIPVXORCYOLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-13-5-6-14(12-4-3-9-18-15(12)13)19-10-16(11-20)7-1-2-8-16/h3-6,9,19-20H,1-2,7-8,10-11,17H2.
What are the key properties of [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol?
[1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(8-aminoquinolin-5-yl)amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 115358035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).