2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one

C20H20N2O2 — CID 54582599

IUPAC2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1cccc(C#Cc2ccc3c(n2)CCN(C(C)C)C3=O)c1
InChIInChI=1S/C20H20N2O2/c1-14(2)22-12-11-19-18(20(22)23)10-9-16(21-19)8-7-15-5-4-6-17(13-15)24-3/h4-6,9-10,13-14H,11-12H2,1-3H3
InChIKeyYMWZFVRRHGUOLL-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.90
Rot. Bonds2

About 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one

2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 54582599) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID54582599
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1cccc(C#Cc2ccc3c(n2)CCN(C(C)C)C3=O)c1
InChIInChI=1S/C20H20N2O2/c1-14(2)22-12-11-19-18(20(22)23)10-9-16(21-19)8-7-15-5-4-6-17(13-15)24-3/h4-6,9-10,13-14H,11-12H2,1-3H3
InChIKeyYMWZFVRRHGUOLL-UHFFFAOYSA-N
XLogP2.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one (CID 54582599) is 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one is COc1cccc(C#Cc2ccc3c(n2)CCN(C(C)C)C3=O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is YMWZFVRRHGUOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(2)22-12-11-19-18(20(22)23)10-9-16(21-19)8-7-15-5-4-6-17(13-15)24-3/h4-6,9-10,13-14H,11-12H2,1-3H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one?
2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 320.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethynyl]-6-propan-2-yl-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 54582599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).