3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one

C16H20N2O3 — CID 78995923

IUPAC3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCC1(O)CCOCC1
InChIInChI=1S/C16H20N2O3/c19-15-13(9-12-3-1-2-4-14(12)18-15)10-17-11-16(20)5-7-21-8-6-16/h1-4,9,17,20H,5-8,10-11H2,(H,18,19)
InChIKeyNLWOCQJNCAYHMA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.16
Rot. Bonds4

About 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one

3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one (PubChem CID 78995923) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one
PubChem CID78995923
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNCC1(O)CCOCC1
InChIInChI=1S/C16H20N2O3/c19-15-13(9-12-3-1-2-4-14(12)18-15)10-17-11-16(20)5-7-21-8-6-16/h1-4,9,17,20H,5-8,10-11H2,(H,18,19)
InChIKeyNLWOCQJNCAYHMA-UHFFFAOYSA-N
XLogP1.16
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one
CID 83011373
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[(pent-4-ynylamino)methyl]-1H-quinolin-2-one
CID 113243576
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
4-[(1-benzofuran-2-ylmethylamino)methyl]oxan-4-ol
CID 78928712
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
CID 46950057
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 167843782
3-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1H-quinolin-2-one
CID 79358473
3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-1H-quinolin-2-one
CID 115664647

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one (CID 78995923) is 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNCC1(O)CCOCC1.
What is the InChIKey of 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is NLWOCQJNCAYHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15-13(9-12-3-1-2-4-14(12)18-15)10-17-11-16(20)5-7-21-8-6-16/h1-4,9,17,20H,5-8,10-11H2,(H,18,19).
What are the key properties of 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one?
3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 288.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-hydroxyoxan-4-yl)methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 78995923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).