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

C21H24N2O3 — CID 91917850

IUPAC(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2
InChIInChI=1S/C21H24N2O3/c1-3-26-19-9-4-15-14-23(13-10-18(15)22-19)20(24)21(11-12-21)16-5-7-17(25-2)8-6-16/h4-9H,3,10-14H2,1-2H3
InChIKeyKDLNUQBRPQOBKR-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.11
Rot. Bonds5

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

(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone (PubChem CID 91917850) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone
PubChem CID91917850
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone
SMILESCCOc1ccc2c(n1)CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2
InChIInChI=1S/C21H24N2O3/c1-3-26-19-9-4-15-14-23(13-10-18(15)22-19)20(24)21(11-12-21)16-5-7-17(25-2)8-6-16/h4-9H,3,10-14H2,1-2H3
InChIKeyKDLNUQBRPQOBKR-UHFFFAOYSA-N
XLogP3.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The IUPAC name of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone (CID 91917850) is (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone.
What is the SMILES notation for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The canonical SMILES for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone is CCOc1ccc2c(n1)CCN(C(=O)C1(c3ccc(OC)cc3)CC1)C2.
What is the InChIKey of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone?
The InChIKey is KDLNUQBRPQOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-19-9-4-15-14-23(13-10-18(15)22-19)20(24)21(11-12-21)16-5-7-17(25-2)8-6-16/h4-9H,3,10-14H2,1-2H3.
What are the key properties of (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone?
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-[1-(4-methoxyphenyl)cyclopropyl]methanone is sourced from PubChem (CID 91917850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).