[2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol

C15H16N2O — CID 71919443

IUPAC[2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NC1CC=CC1
InChIInChI=1S/C15H16N2O/c18-10-12-9-11-5-1-4-8-14(11)17-15(12)16-13-6-2-3-7-13/h1-5,8-9,13,18H,6-7,10H2,(H,16,17)
InChIKeyNVRCEKXGFOUKDD-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.86
Rot. Bonds3

About [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol

[2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol (PubChem CID 71919443) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol
PubChem CID71919443
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name[2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol
SMILESOCc1cc2ccccc2nc1NC1CC=CC1
InChIInChI=1S/C15H16N2O/c18-10-12-9-11-5-1-4-8-14(11)17-15(12)16-13-6-2-3-7-13/h1-5,8-9,13,18H,6-7,10H2,(H,16,17)
InChIKeyNVRCEKXGFOUKDD-UHFFFAOYSA-N
XLogP2.86
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol?
The IUPAC name of [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol (CID 71919443) is [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol.
What is the SMILES notation for [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol?
The canonical SMILES for [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol is OCc1cc2ccccc2nc1NC1CC=CC1.
What is the InChIKey of [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol?
The InChIKey is NVRCEKXGFOUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-10-12-9-11-5-1-4-8-14(11)17-15(12)16-13-6-2-3-7-13/h1-5,8-9,13,18H,6-7,10H2,(H,16,17).
What are the key properties of [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol?
[2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol has a molecular weight of 240.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopent-3-en-1-ylamino)quinolin-3-yl]methanol is sourced from PubChem (CID 71919443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).