N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide

C14H16N2O3 — CID 125463975

IUPACN-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)[C@@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O3/c1-9(18)16-13(8-17)14(19)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,13-14,17,19H,8H2,1H3,(H,16,18)/t13-,14+/m1/s1
InChIKeyRTDUZDPSVPXKGT-KGLIPLIRSA-N
MW260.29 g/mol
LogP0.77
Rot. Bonds4

About N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide

N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide (PubChem CID 125463975) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide
PubChem CID125463975
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)[C@@H](O)c1ccc2ncccc2c1
InChIInChI=1S/C14H16N2O3/c1-9(18)16-13(8-17)14(19)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,13-14,17,19H,8H2,1H3,(H,16,18)/t13-,14+/m1/s1
InChIKeyRTDUZDPSVPXKGT-KGLIPLIRSA-N
XLogP0.77
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271
methyl 3-hydroxy-2-methyl-3-quinolin-6-ylpropanoate
CID 63971839
1-quinolin-6-ylbutane-1,2-diol
CID 103454747
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
N-[(1S,2S)-1,3-dihydroxy-1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 129411973
3-methyl-2-quinolin-6-ylbutanoic acid
CID 81224451
(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
CID 86586613
4-hydroxy-2-methyl-4-quinolin-6-ylbutanoic acid
CID 63969311
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
methyl 4-hydroxy-2-methyl-4-quinolin-6-ylbutanoate
CID 63969521

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide?
The IUPAC name of N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide (CID 125463975) is N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide.
What is the SMILES notation for N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide?
The canonical SMILES for N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide is CC(=O)N[C@H](CO)[C@@H](O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide?
The InChIKey is RTDUZDPSVPXKGT-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(18)16-13(8-17)14(19)11-4-5-12-10(7-11)3-2-6-15-12/h2-7,13-14,17,19H,8H2,1H3,(H,16,18)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide?
N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide has a molecular weight of 260.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1,3-dihydroxy-1-quinolin-6-ylpropan-2-yl]acetamide is sourced from PubChem (CID 125463975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).