3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one

C14H17N3O2 — CID 83011373

IUPAC3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNN1CCOCC1
InChIInChI=1S/C14H17N3O2/c18-14-12(10-15-17-5-7-19-8-6-17)9-11-3-1-2-4-13(11)16-14/h1-4,9,15H,5-8,10H2,(H,16,18)
InChIKeyLRVGYURSZOBORN-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.86
Rot. Bonds3

About 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one

3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one (PubChem CID 83011373) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one
PubChem CID83011373
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNN1CCOCC1
InChIInChI=1S/C14H17N3O2/c18-14-12(10-15-17-5-7-19-8-6-17)9-11-3-1-2-4-13(11)16-14/h1-4,9,15H,5-8,10H2,(H,16,18)
InChIKeyLRVGYURSZOBORN-UHFFFAOYSA-N
XLogP0.86
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one (CID 83011373) is 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNN1CCOCC1.
What is the InChIKey of 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one?
The InChIKey is LRVGYURSZOBORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-14-12(10-15-17-5-7-19-8-6-17)9-11-3-1-2-4-13(11)16-14/h1-4,9,15H,5-8,10H2,(H,16,18).
What are the key properties of 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one?
3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(morpholin-4-ylamino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 83011373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).