2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one

C13H16ClN3O2 — CID 176684856

IUPAC2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(Cl)nc2CCN1C[C@H]1COCCN1
InChIInChI=1S/C13H16ClN3O2/c14-12-2-1-10-11(16-12)3-5-17(13(10)18)7-9-8-19-6-4-15-9/h1-2,9,15H,3-8H2/t9-/m0/s1
InChIKeyWCSGTDBRIHFDMT-VIFPVBQESA-N
MW281.74 g/mol
LogP0.72
Rot. Bonds2

About 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one

2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 176684856) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID176684856
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESO=C1c2ccc(Cl)nc2CCN1C[C@H]1COCCN1
InChIInChI=1S/C13H16ClN3O2/c14-12-2-1-10-11(16-12)3-5-17(13(10)18)7-9-8-19-6-4-15-9/h1-2,9,15H,3-8H2/t9-/m0/s1
InChIKeyWCSGTDBRIHFDMT-VIFPVBQESA-N
XLogP0.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(1-fluorocyclopropyl)methyl]-7-methoxyindol-2-yl]-3-methyl-7-[[(3S)-morpholin-3-yl]methyl]-5,6-dihydroimidazo[4,5-b][1,6]naphthyridin-8-one
CID 170338433
4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549560
5,6-difluoro-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549626
4-amino-1-(morpholin-3-ylmethyl)-1,3,5-triazin-2-one
CID 57264933
2-[1-(cyclopropylmethyl)-7-methoxyindol-2-yl]-1-methyl-6-(morpholin-3-ylmethyl)-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170344218
N-(4-chloropyrimidin-2-yl)-2-morpholin-3-ylacetamide
CID 114052312
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
2-[1-[2-(difluoromethoxy)ethyl]-7-methoxyindol-2-yl]-1-methyl-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydroimidazo[4,5-g]isoquinolin-5-one
CID 170603894
4-cyclobutyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982801
4-cyclopentyl-3-methyl-1-(morpholin-3-ylmethyl)imidazolidin-2-one
CID 116982800
(3R)-3-[[3-chloro-5-(triazol-2-yl)phenyl]methyl]morpholine
CID 118936318
3-(pyrrolidin-1-ylmethyl)morpholine;dihydrochloride
CID 18915160

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 176684856) is 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one is O=C1c2ccc(Cl)nc2CCN1C[C@H]1COCCN1.
What is the InChIKey of 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is WCSGTDBRIHFDMT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-12-2-1-10-11(16-12)3-5-17(13(10)18)7-9-8-19-6-4-15-9/h1-2,9,15H,3-8H2/t9-/m0/s1.
What are the key properties of 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one?
2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 281.74 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[(3S)-morpholin-3-yl]methyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 176684856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).