2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol

C16H17N3O — CID 143597098

IUPAC2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CNCCc3cc[nH]c3)nc12
InChIInChI=1S/C16H17N3O/c20-15-3-1-2-13-4-5-14(19-16(13)15)11-18-9-7-12-6-8-17-10-12/h1-6,8,10,17-18,20H,7,9,11H2
InChIKeyUFBUJHSIHVSNAL-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.60
Rot. Bonds5

About 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol

2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol (PubChem CID 143597098) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol
PubChem CID143597098
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol
SMILESOc1cccc2ccc(CNCCc3cc[nH]c3)nc12
InChIInChI=1S/C16H17N3O/c20-15-3-1-2-13-4-5-14(19-16(13)15)11-18-9-7-12-6-8-17-10-12/h1-6,8,10,17-18,20H,7,9,11H2
InChIKeyUFBUJHSIHVSNAL-UHFFFAOYSA-N
XLogP2.60
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol?
The IUPAC name of 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol (CID 143597098) is 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol.
What is the SMILES notation for 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol?
The canonical SMILES for 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol is Oc1cccc2ccc(CNCCc3cc[nH]c3)nc12.
What is the InChIKey of 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol?
The InChIKey is UFBUJHSIHVSNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-15-3-1-2-13-4-5-14(19-16(13)15)11-18-9-7-12-6-8-17-10-12/h1-6,8,10,17-18,20H,7,9,11H2.
What are the key properties of 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol?
2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol has a molecular weight of 267.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]quinolin-8-ol is sourced from PubChem (CID 143597098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).