2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid

C16H20N2O4 — CID 118657178

IUPAC2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(=O)N2CCOCC2)Cc2ccccc21
InChIInChI=1S/C16H20N2O4/c19-15(20)11-18-10-13(9-12-3-1-2-4-14(12)18)16(21)17-5-7-22-8-6-17/h1-4,13H,5-11H2,(H,19,20)
InChIKeyZNWPANCXLAEQHH-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.61
Rot. Bonds3

About 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid

2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid (PubChem CID 118657178) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid
PubChem CID118657178
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid
SMILESO=C(O)CN1CC(C(=O)N2CCOCC2)Cc2ccccc21
InChIInChI=1S/C16H20N2O4/c19-15(20)11-18-10-13(9-12-3-1-2-4-14(12)18)16(21)17-5-7-22-8-6-17/h1-4,13H,5-11H2,(H,19,20)
InChIKeyZNWPANCXLAEQHH-UHFFFAOYSA-N
XLogP0.61
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-carbamoyl-3,4-dihydro-2H-quinolin-1-yl)acetic acid
CID 119958653
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
(1-benzoyl-2,3-dihydroindol-2-yl)-morpholin-4-ylmethanone
CID 20954563
1-(2,2-difluoroethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106903130
(1-methyl-2,3,5,6,7,11b-hexahydro-1H-pyrrolo[2,1-a][2]benzazepin-6-yl)-morpholin-4-ylmethanone
CID 143426982
1-(2,3-dihydroindol-1-yl)-2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 9157107
2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetic acid
CID 54483331
1-(cyclopropylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902942
4-(morpholine-4-carbonyl)-1-(2-phenoxyphenyl)pyrrolidin-2-one
CID 113190755
(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187329
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanone
CID 96571349

Frequently Asked Questions

What is the IUPAC name of 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid?
The IUPAC name of 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid (CID 118657178) is 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid is O=C(O)CN1CC(C(=O)N2CCOCC2)Cc2ccccc21.
What is the InChIKey of 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid?
The InChIKey is ZNWPANCXLAEQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(20)11-18-10-13(9-12-3-1-2-4-14(12)18)16(21)17-5-7-22-8-6-17/h1-4,13H,5-11H2,(H,19,20).
What are the key properties of 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid?
2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(morpholine-4-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]acetic acid is sourced from PubChem (CID 118657178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).