2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C19H18N4O2 — CID 163250015

IUPAC2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC=C(OCC)c1ccc2nccc(-c3cc4c([nH]3)CCNC4=O)c2n1
InChIInChI=1S/C19H18N4O2/c1-3-25-11(2)14-4-5-16-18(23-14)12(6-8-20-16)17-10-13-15(22-17)7-9-21-19(13)24/h4-6,8,10,22H,2-3,7,9H2,1H3,(H,21,24)
InChIKeyTWIRTDBPBXCRFY-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.92
Rot. Bonds4

About 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 163250015) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID163250015
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESC=C(OCC)c1ccc2nccc(-c3cc4c([nH]3)CCNC4=O)c2n1
InChIInChI=1S/C19H18N4O2/c1-3-25-11(2)14-4-5-16-18(23-14)12(6-8-20-16)17-10-13-15(22-17)7-9-21-19(13)24/h4-6,8,10,22H,2-3,7,9H2,1H3,(H,21,24)
InChIKeyTWIRTDBPBXCRFY-UHFFFAOYSA-N
XLogP2.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 163250015) is 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is C=C(OCC)c1ccc2nccc(-c3cc4c([nH]3)CCNC4=O)c2n1.
What is the InChIKey of 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is TWIRTDBPBXCRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-25-11(2)14-4-5-16-18(23-14)12(6-8-20-16)17-10-13-15(22-17)7-9-21-19(13)24/h4-6,8,10,22H,2-3,7,9H2,1H3,(H,21,24).
What are the key properties of 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 334.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-ethoxyethenyl)-1,5-naphthyridin-4-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 163250015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).