3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one

C15H16N2O4 — CID 81197737

IUPAC3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccccc2c1=O)N1CCOC(CO)C1
InChIInChI=1S/C15H16N2O4/c18-9-10-8-17(5-6-21-10)15(20)12-7-16-13-4-2-1-3-11(13)14(12)19/h1-4,7,10,18H,5-6,8-9H2,(H,16,19)
InChIKeyMUZUKDDYLQWOKH-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.36
Rot. Bonds2

About 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one

3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one (PubChem CID 81197737) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one
PubChem CID81197737
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccccc2c1=O)N1CCOC(CO)C1
InChIInChI=1S/C15H16N2O4/c18-9-10-8-17(5-6-21-10)15(20)12-7-16-13-4-2-1-3-11(13)14(12)19/h1-4,7,10,18H,5-6,8-9H2,(H,16,19)
InChIKeyMUZUKDDYLQWOKH-UHFFFAOYSA-N
XLogP0.36
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957331
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
1-[4-[[4-(1H-indole-3-carbonyl)morpholin-2-yl]methoxy]-2-methylphenyl]ethanone
CID 3840261
[2-(hydroxymethyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 81208687
3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 95588730
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(2-aminoquinolin-4-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81213722
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one (CID 81197737) is 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one is O=C(c1c[nH]c2ccccc2c1=O)N1CCOC(CO)C1.
What is the InChIKey of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one?
The InChIKey is MUZUKDDYLQWOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-9-10-8-17(5-6-21-10)15(20)12-7-16-13-4-2-1-3-11(13)14(12)19/h1-4,7,10,18H,5-6,8-9H2,(H,16,19).
What are the key properties of 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one?
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one has a molecular weight of 288.30 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 81197737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).