2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol

C19H18N2O — CID 753633

IUPAC2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol
SMILESC=CCc1cccc(CNc2cnc3ccccc3c2)c1O
InChIInChI=1S/C19H18N2O/c1-2-6-14-8-5-9-16(19(14)22)12-20-17-11-15-7-3-4-10-18(15)21-13-17/h2-5,7-11,13,20,22H,1,6,12H2
InChIKeyIIWDRUGTHNBQSJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.28
Rot. Bonds5

About 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol

2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol (PubChem CID 753633) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol
PubChem CID753633
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol
SMILESC=CCc1cccc(CNc2cnc3ccccc3c2)c1O
InChIInChI=1S/C19H18N2O/c1-2-6-14-8-5-9-16(19(14)22)12-20-17-11-15-7-3-4-10-18(15)21-13-17/h2-5,7-11,13,20,22H,1,6,12H2
InChIKeyIIWDRUGTHNBQSJ-UHFFFAOYSA-N
XLogP4.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol?
The IUPAC name of 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol (CID 753633) is 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol?
The canonical SMILES for 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol is C=CCc1cccc(CNc2cnc3ccccc3c2)c1O.
What is the InChIKey of 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol?
The InChIKey is IIWDRUGTHNBQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-2-6-14-8-5-9-16(19(14)22)12-20-17-11-15-7-3-4-10-18(15)21-13-17/h2-5,7-11,13,20,22H,1,6,12H2.
What are the key properties of 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol?
2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol has a molecular weight of 290.37 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-6-[(quinolin-3-ylamino)methyl]phenol is sourced from PubChem (CID 753633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).