[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

C22H26N2O4 — CID 91907675

IUPAC[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2
InChIInChI=1S/C22H26N2O4/c1-26-13-14-28-20-8-3-16-15-24(12-9-19(16)23-20)21(25)22(10-11-22)17-4-6-18(27-2)7-5-17/h3-8H,9-15H2,1-2H3
InChIKeyQBEPWVURQKLLEB-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.73
Rot. Bonds7

About [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone

[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 91907675) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID91907675
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCOCCOc1ccc2c(n1)CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2
InChIInChI=1S/C22H26N2O4/c1-26-13-14-28-20-8-3-16-15-24(12-9-19(16)23-20)21(25)22(10-11-22)17-4-6-18(27-2)7-5-17/h3-8H,9-15H2,1-2H3
InChIKeyQBEPWVURQKLLEB-UHFFFAOYSA-N
XLogP2.73
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone (CID 91907675) is [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is COCCOc1ccc2c(n1)CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2.
What is the InChIKey of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is QBEPWVURQKLLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-26-13-14-28-20-8-3-16-15-24(12-9-19(16)23-20)21(25)22(10-11-22)17-4-6-18(27-2)7-5-17/h3-8H,9-15H2,1-2H3.
What are the key properties of [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone?
[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 382.46 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 91907675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).