ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione

C19H17N3O3 — CID 123536143

IUPACethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione
SMILESCC.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2NC1=O
InChIInChI=1S/C17H11N3O3.C2H6/c21-13-9-11-15(6-8-19-16(11)20-17(13)22)23-14-5-1-4-12-10(14)3-2-7-18-12;1-2/h1-8H,9H2,(H,19,20,22);1-2H3
InChIKeyRAYZMCMUHNOLIZ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.51
Rot. Bonds2

About ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione

ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione (PubChem CID 123536143) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione.

Molecular Properties

Compound Nameethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione
PubChem CID123536143
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Nameethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione
SMILESCC.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2NC1=O
InChIInChI=1S/C17H11N3O3.C2H6/c21-13-9-11-15(6-8-19-16(11)20-17(13)22)23-14-5-1-4-12-10(14)3-2-7-18-12;1-2/h1-8H,9H2,(H,19,20,22);1-2H3
InChIKeyRAYZMCMUHNOLIZ-UHFFFAOYSA-N
XLogP3.51
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione with MolForge

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Related Compounds

4-(8-aminoquinolin-5-yl)oxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 58171731
5-(4-aminonaphthalen-1-yl)oxy-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 155586354
2-quinolin-5-yloxybenzaldehyde
CID 103045116
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
5-(4-methoxyphenoxy)quinoline
CID 122457274
2-quinolin-5-yloxypyridin-3-amine
CID 103043871
4-quinolin-5-yloxypyridin-3-amine
CID 103043914
(2-methyl-3-quinolin-4-yloxyphenyl)methanone;yttrium
CID 166050630
5-pyridin-4-yloxyquinoline
CID 91445201
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674
(1R)-1-(2-quinolin-5-yloxy-4-pyridinyl)ethanamine
CID 103044967
(4-methyl-3-quinolin-5-yloxyphenyl)methanamine
CID 103045285

Frequently Asked Questions

What is the IUPAC name of ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione?
The IUPAC name of ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione (CID 123536143) is ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione.
What is the SMILES notation for ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione?
The canonical SMILES for ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione is CC.O=C1Cc2c(Oc3cccc4ncccc34)ccnc2NC1=O.
What is the InChIKey of ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione?
The InChIKey is RAYZMCMUHNOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3.C2H6/c21-13-9-11-15(6-8-19-16(11)20-17(13)22)23-14-5-1-4-12-10(14)3-2-7-18-12;1-2/h1-8H,9H2,(H,19,20,22);1-2H3.
What are the key properties of ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione?
ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione has a molecular weight of 335.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-quinolin-5-yloxy-1,4-dihydro-1,8-naphthyridine-2,3-dione is sourced from PubChem (CID 123536143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).