(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid

C16H20N2O4 — CID 167863130

IUPAC(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)N2CCCc3ccccc32)[C@H](C(=O)O)CO1
InChIInChI=1S/C16H20N2O4/c1-11-9-18(14(10-22-11)15(19)20)16(21)17-8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,19,20)/t11-,14+/m1/s1
InChIKeyWEIQKHKZBXPQGE-RISCZKNCSA-N
MW304.35 g/mol
LogP1.73
Rot. Bonds1

About (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid

(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid (PubChem CID 167863130) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid
PubChem CID167863130
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid
SMILESC[C@@H]1CN(C(=O)N2CCCc3ccccc32)[C@H](C(=O)O)CO1
InChIInChI=1S/C16H20N2O4/c1-11-9-18(14(10-22-11)15(19)20)16(21)17-8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,19,20)/t11-,14+/m1/s1
InChIKeyWEIQKHKZBXPQGE-RISCZKNCSA-N
XLogP1.73
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61184197
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
1-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidine-4-carboxylic acid
CID 28513192
1-[2-[(2S,5S)-2,5-dimethylmorpholin-4-yl]-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 95290497
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
(1R,6S)-6-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 1225798
3-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclobutane-1-carboxylic acid
CID 139695348
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylazetidin-2-one
CID 142386717
(3S,4S)-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120959
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-methylmorpholine-4-carboximidamide
CID 120661382
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid?
The IUPAC name of (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid (CID 167863130) is (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid.
What is the SMILES notation for (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid?
The canonical SMILES for (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid is C[C@@H]1CN(C(=O)N2CCCc3ccccc32)[C@H](C(=O)O)CO1.
What is the InChIKey of (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid?
The InChIKey is WEIQKHKZBXPQGE-RISCZKNCSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11-9-18(14(10-22-11)15(19)20)16(21)17-8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,19,20)/t11-,14+/m1/s1.
What are the key properties of (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid?
(3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-6-methylmorpholine-3-carboxylic acid is sourced from PubChem (CID 167863130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).