3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol

C20H22N2O3 — CID 18432997

IUPAC3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCOc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1C
InChIInChI=1S/C20H22N2O3/c1-13-9-14(7-8-20(13)25-2)18-10-19(21-11-15(24)12-23)16-5-3-4-6-17(16)22-18/h3-10,15,23-24H,11-12H2,1-2H3,(H,21,22)
InChIKeyVDHHQQQMUJNHCD-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.98
Rot. Bonds6

About 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol

3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol (PubChem CID 18432997) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
PubChem CID18432997
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
SMILESCOc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1C
InChIInChI=1S/C20H22N2O3/c1-13-9-14(7-8-20(13)25-2)18-10-19(21-11-15(24)12-23)16-5-3-4-6-17(16)22-18/h3-10,15,23-24H,11-12H2,1-2H3,(H,21,22)
InChIKeyVDHHQQQMUJNHCD-UHFFFAOYSA-N
XLogP2.98
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
1-Acridinol, 1,2,3,4-tetrahydro-9-(((2-methoxyphenyl)methyl)amino)-
CID 3025616
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
1-Acridinol, 1,2,3,4-tetrahydro-9-(((3-methoxyphenyl)methyl)amino)-
CID 3025617
1-Acridinol, 1,2,3,4-tetrahydro-9-(((4-methoxyphenyl)methyl)amino)-
CID 3025618
1-Acridinol, 1,2,3,4-tetrahydro-9-((3-phenoxypropyl)amino)-
CID 3025629
2-(4-methoxyphenyl)-N-(3-(piperidin-1-yl)propyl)quinolin-4-amine
CID 73050850
N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 16077296
4-(5-Fluoro-2-methoxyphenyl)-4-methyl-1-(2-methylquinolin-5-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 21948853
1,2-Ethanediamine, N'-(2-(4-methoxyphenyl)-4-quinolinyl)-N,N-dimethyl-
CID 453054
N-n-heptyl-7-methoxytacrine hydrochloride
CID 10496398

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The IUPAC name of 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol (CID 18432997) is 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol.
What is the SMILES notation for 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The canonical SMILES for 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol is COc1ccc(-c2cc(NCC(O)CO)c3ccccc3n2)cc1C.
What is the InChIKey of 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
The InChIKey is VDHHQQQMUJNHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-9-14(7-8-20(13)25-2)18-10-19(21-11-15(24)12-23)16-5-3-4-6-17(16)22-18/h3-10,15,23-24H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol?
3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol has a molecular weight of 338.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxy-3-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol is sourced from PubChem (CID 18432997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).