2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol

C16H19N5O — CID 162640094

IUPAC2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCCNc2cccc3cccnc23)nn1
InChIInChI=1S/C16H19N5O/c22-11-7-14-12-21(20-19-14)10-3-9-17-15-6-1-4-13-5-2-8-18-16(13)15/h1-2,4-6,8,12,17,22H,3,7,9-11H2
InChIKeyCXIXNZJKQOGKLY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.86
Rot. Bonds7

About 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol

2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol (PubChem CID 162640094) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol
PubChem CID162640094
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCCNc2cccc3cccnc23)nn1
InChIInChI=1S/C16H19N5O/c22-11-7-14-12-21(20-19-14)10-3-9-17-15-6-1-4-13-5-2-8-18-16(13)15/h1-2,4-6,8,12,17,22H,3,7,9-11H2
InChIKeyCXIXNZJKQOGKLY-UHFFFAOYSA-N
XLogP1.86
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(4-fluorophenyl)triazol-1-yl]butyl]quinolin-8-amine
CID 162640142
2-[4-[(quinolin-8-ylmethylamino)methyl]triazol-1-yl]ethanol
CID 81427814
2-methyl-5-(quinolin-8-ylamino)pentan-2-ol
CID 118731137
N-heptylquinolin-8-amine
CID 43130175
5-(quinolin-8-ylamino)pentylcarbamic acid
CID 126720717
3-[4-[[(2-ethoxy-3-pyridinyl)amino]methyl]triazol-1-yl]propan-1-ol
CID 66269873
N-(pyridin-2-ylmethyl)quinolin-8-amine
CID 20827882
3-[4-[(3-bromo-2-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 107629688
3-[(2-methyl-3-pyridinyl)amino]propan-1-ol
CID 19782834
N-quinolin-8-ylhydroxylamine
CID 22011433
2-[4-(aminomethyl)triazol-1-yl]-1-quinolin-8-ylethanone
CID 116599822
N-(3-methoxy-3-methylbutyl)quinolin-8-amine
CID 106675039

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol (CID 162640094) is 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol is OCCc1cn(CCCNc2cccc3cccnc23)nn1.
What is the InChIKey of 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol?
The InChIKey is CXIXNZJKQOGKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-11-7-14-12-21(20-19-14)10-3-9-17-15-6-1-4-13-5-2-8-18-16(13)15/h1-2,4-6,8,12,17,22H,3,7,9-11H2.
What are the key properties of 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol?
2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol has a molecular weight of 297.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(quinolin-8-ylamino)propyl]triazol-4-yl]ethanol is sourced from PubChem (CID 162640094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).