(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

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

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Related Compounds

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CID 164072
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
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Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
Pyridine amide, 29
CID 44237004
[2-(4-Ethoxyphenyl)quinolin-4-yl](pyrrolidin-1-yl)methanone
CID 757764
2-[4-ethoxy-3-[5-fluoro-2-[(6-methyl-2-pyridinyl)methoxycarbonyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89649497
(3,5-Dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 3466025
2-(4-Ethoxyphenyl)-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoline
CID 5095604
2-(4-Methoxyphenyl)-1-[2-[(6-propoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
CID 70692602
2-[5-[4-[2-(6-azaspiro[2.5]octan-6-yl)ethoxy]phenyl]-2-pyridinyl]-N-benzylacetamide
CID 166633190
[2-(4-Methoxyphenyl)quinolin-4-yl](piperidin-1-yl)methanone
CID 2711802
2-[3-[5-fluoro-2-[3-(6-methylpyridin-2-yl)propanoyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-(2,2,2-trifluoroethoxy)phenyl]acetic acid
CID 89648529

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).