8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane

C14H18ClN3O2 — CID 145012194

IUPAC8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane
SMILESCC.O=c1cc(N2CCOCC2)[nH]c2c(Cl)nccc12
InChIInChI=1S/C12H12ClN3O2.C2H6/c13-12-11-8(1-2-14-12)9(17)7-10(15-11)16-3-5-18-6-4-16;1-2/h1-2,7H,3-6H2,(H,15,17);1-2H3
InChIKeyKUJMRKUDSWNDHO-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.44
Rot. Bonds1

About 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane

8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane (PubChem CID 145012194) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane.

Molecular Properties

Compound Name8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane
PubChem CID145012194
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane
SMILESCC.O=c1cc(N2CCOCC2)[nH]c2c(Cl)nccc12
InChIInChI=1S/C12H12ClN3O2.C2H6/c13-12-11-8(1-2-14-12)9(17)7-10(15-11)16-3-5-18-6-4-16;1-2/h1-2,7H,3-6H2,(H,15,17);1-2H3
InChIKeyKUJMRKUDSWNDHO-UHFFFAOYSA-N
XLogP2.44
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.44
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

8-(2-acetylphenyl)-2-morpholin-4-yl-1H-quinolin-4-one
CID 69199746
3-(4-bromo-2-pyridinyl)-5-morpholin-4-yl-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
CID 148581612
carbon dioxide;8-[1-(4-methylphenyl)triazol-4-yl]-2-(1,4-oxazepan-4-yl)-1H-quinolin-4-one
CID 159682877
2-[1-(6-methyl-2-morpholin-4-yl-4-oxo-1H-1,7-naphthyridin-8-yl)ethylamino]benzoic acid
CID 171520548
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387
6-(azepan-1-yl)-4-morpholin-4-yl-1H-pyridin-2-one
CID 156533558
2-benzyl-3-[[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)triazol-1-yl]methyl]benzoic acid
CID 118690758
6-methoxy-3-morpholin-4-yl-2H-isoquinolin-1-one
CID 22250132
8-(3-chloroanilino)-2-morpholin-4-ylpyrano[2,3-c]pyridin-4-one
CID 134808903
4-[4-(5-chloro-1,6-naphthyridin-7-yl)phenyl]morpholine;ethane
CID 143936489
2-[methyl(oxan-4-yl)amino]-8-morpholin-4-ylpyrano[2,3-c]pyridin-4-one
CID 134810460
6-morpholin-4-yl-4-piperidin-1-yl-1H-pyrimidin-2-one
CID 155531007

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane?
The IUPAC name of 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane (CID 145012194) is 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane.
What is the SMILES notation for 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane?
The canonical SMILES for 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane is CC.O=c1cc(N2CCOCC2)[nH]c2c(Cl)nccc12.
What is the InChIKey of 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane?
The InChIKey is KUJMRKUDSWNDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2.C2H6/c13-12-11-8(1-2-14-12)9(17)7-10(15-11)16-3-5-18-6-4-16;1-2/h1-2,7H,3-6H2,(H,15,17);1-2H3.
What are the key properties of 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane?
8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane has a molecular weight of 295.77 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-morpholin-4-yl-1H-1,7-naphthyridin-4-one;ethane is sourced from PubChem (CID 145012194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).