(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol

C16H19FN2O4 — CID 146550272

IUPAC(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c([C@@H](O)CC3OCC(N)CO3)c2c1
InChIInChI=1S/C16H19FN2O4/c1-21-10-2-3-13-11(4-10)16(12(17)6-19-13)14(20)5-15-22-7-9(18)8-23-15/h2-4,6,9,14-15,20H,5,7-8,18H2,1H3/t9?,14-,15?/m0/s1
InChIKeyYZDCHUALJQBMMB-WOFGGDGOSA-N
MW322.34 g/mol
LogP1.51
Rot. Bonds4

About (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol

(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol (PubChem CID 146550272) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
PubChem CID146550272
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
SMILESCOc1ccc2ncc(F)c([C@@H](O)CC3OCC(N)CO3)c2c1
InChIInChI=1S/C16H19FN2O4/c1-21-10-2-3-13-11(4-10)16(12(17)6-19-13)14(20)5-15-22-7-9(18)8-23-15/h2-4,6,9,14-15,20H,5,7-8,18H2,1H3/t9?,14-,15?/m0/s1
InChIKeyYZDCHUALJQBMMB-WOFGGDGOSA-N
XLogP1.51
TPSA86.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropanal
CID 145147650
(1S)-2-[5-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)-1,3-dioxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 146550035
(S)-(3-fluoro-6-methoxyquinolin-4-yl)-[(1S)-1-methyl-2-methylidenecyclopropyl]methanol
CID 132521149
(3-fluoro-6-methoxyquinolin-4-yl)-(1-methyl-2-methylidenecyclobutyl)methanol
CID 132565965
tert-butyl N-[(3R,6S)-6-[2-(3-fluoro-6-methoxyquinolin-4-yl)-1,2-dihydroxyethyl]oxan-3-yl]carbamate
CID 67366628
4-(cyclohexylmethyl)-1-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperazine-2-carbaldehyde;methoxymethane
CID 145147663
4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperidine-3-carboxylic acid
CID 69362150
(1S)-2-[(2S,5R,6S)-5-[[(E)-3-(2,5-difluorophenyl)prop-2-enyl]amino]-6-(hydroxymethyl)oxan-2-yl]-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol
CID 24783377
methyl (2R)-4-(cyclohexylmethyl)-1-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]piperazine-2-carboxylate
CID 145147719
2-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]-1,3-dioxan-5-amine
CID 146503167
methyl 4-[3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-prop-2-ynylpiperidine-3-carboxylate
CID 139996950
2-[4-[(3R)-3-(3-fluoro-6-methoxyquinolin-4-yl)-3-hydroxypropyl]-1-[2-(3,4,5-trifluorophenoxy)ethyl]piperidin-4-yl]acetic acid
CID 20797845

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
The IUPAC name of (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol (CID 146550272) is (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol.
What is the SMILES notation for (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
The canonical SMILES for (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol is COc1ccc2ncc(F)c([C@@H](O)CC3OCC(N)CO3)c2c1.
What is the InChIKey of (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
The InChIKey is YZDCHUALJQBMMB-WOFGGDGOSA-N. The full InChI is InChI=1S/C16H19FN2O4/c1-21-10-2-3-13-11(4-10)16(12(17)6-19-13)14(20)5-15-22-7-9(18)8-23-15/h2-4,6,9,14-15,20H,5,7-8,18H2,1H3/t9?,14-,15?/m0/s1.
What are the key properties of (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol?
(1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol has a molecular weight of 322.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(5-amino-1,3-dioxan-2-yl)-1-(3-fluoro-6-methoxyquinolin-4-yl)ethanol is sourced from PubChem (CID 146550272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).