2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol

C18H18N2O3 — CID 133448200

IUPAC2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2nc3ccccc3cc2CO)c1O
InChIInChI=1S/C18H18N2O3/c1-23-16-8-4-6-13(17(16)22)10-19-18-14(11-21)9-12-5-2-3-7-15(12)20-18/h2-9,21-22H,10-11H2,1H3,(H,19,20)
InChIKeyKJCBLRIOJRDAFP-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.05
Rot. Bonds5

About 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol

2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol (PubChem CID 133448200) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
PubChem CID133448200
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2nc3ccccc3cc2CO)c1O
InChIInChI=1S/C18H18N2O3/c1-23-16-8-4-6-13(17(16)22)10-19-18-14(11-21)9-12-5-2-3-7-15(12)20-18/h2-9,21-22H,10-11H2,1H3,(H,19,20)
InChIKeyKJCBLRIOJRDAFP-UHFFFAOYSA-N
XLogP3.05
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
CID 133469932
2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
CID 662389
[2-[3-(2-methoxyethoxy)propylamino]quinolin-3-yl]methanol
CID 111469742
[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol
CID 133474779
[2-[3-(hydroxymethyl)quinolin-2-yl]oxyphenyl]methanol
CID 63653966
2-methoxy-6-[(pyridin-1-ium-2-ylamino)methyl]phenol
CID 6950881
6-[(2-hydroxy-3-methoxyphenyl)methylamino]-3,7-dihydropurine-2-thione
CID 86663302
2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982
3-[[4-[(2-methoxyphenyl)methylamino]quinazolin-2-yl]amino]phenol
CID 91963240
[2-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]quinolin-3-yl]methanol
CID 133388292
N-[2-[[3-(hydroxymethyl)quinolin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 71870948
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
CID 43347281

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol (CID 133448200) is 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol is COc1cccc(CNc2nc3ccccc3cc2CO)c1O.
What is the InChIKey of 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol?
The InChIKey is KJCBLRIOJRDAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-23-16-8-4-6-13(17(16)22)10-19-18-14(11-21)9-12-5-2-3-7-15(12)20-18/h2-9,21-22H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol?
2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol has a molecular weight of 310.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 133448200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).