(3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C19H22N2O4 — CID 91917844

IUPAC(3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C19H22N2O4/c1-4-25-18-8-6-14-12-21(10-9-15(14)20-18)19(22)13-5-7-16(23-2)17(11-13)24-3/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyKDVLSQOPPWPUBN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.70
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 91917844) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID91917844
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)c1ccc(OC)c(OC)c1)C2
InChIInChI=1S/C19H22N2O4/c1-4-25-18-8-6-14-12-21(10-9-15(14)20-18)19(22)13-5-7-16(23-2)17(11-13)24-3/h5-8,11H,4,9-10,12H2,1-3H3
InChIKeyKDVLSQOPPWPUBN-UHFFFAOYSA-N
XLogP2.70
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 91917844) is (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is CCOc1ccc2c(n1)CCN(C(=O)c1ccc(OC)c(OC)c1)C2.
What is the InChIKey of (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is KDVLSQOPPWPUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-25-18-8-6-14-12-21(10-9-15(14)20-18)19(22)13-5-7-16(23-2)17(11-13)24-3/h5-8,11H,4,9-10,12H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 91917844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).