2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one

C18H20N2O3 — CID 167438637

IUPAC2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc(CCC2Cc3nc(OC)ccc3C(=O)N2)cc1
InChIInChI=1S/C18H20N2O3/c1-22-14-7-4-12(5-8-14)3-6-13-11-16-15(18(21)19-13)9-10-17(20-16)23-2/h4-5,7-10,13H,3,6,11H2,1-2H3,(H,19,21)
InChIKeyTWUUMTGHAHTWDW-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.39
Rot. Bonds5

About 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 167438637) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID167438637
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCOc1ccc(CCC2Cc3nc(OC)ccc3C(=O)N2)cc1
InChIInChI=1S/C18H20N2O3/c1-22-14-7-4-12(5-8-14)3-6-13-11-16-15(18(21)19-13)9-10-17(20-16)23-2/h4-5,7-10,13H,3,6,11H2,1-2H3,(H,19,21)
InChIKeyTWUUMTGHAHTWDW-UHFFFAOYSA-N
XLogP2.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 163035712
(4-methoxyphenyl)methyl (2S)-4-oxoazetidine-2-carboxylate
CID 70319681
6-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 135069719
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CID 103373254
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CID 106779333
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(7R)-2-amino-7-[5-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424930
hydron;4-[3-(4-methoxyphenyl)propyl]piperidine;chloride
CID 50986949
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CID 113390085
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 167438637) is 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one is COc1ccc(CCC2Cc3nc(OC)ccc3C(=O)N2)cc1.
What is the InChIKey of 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is TWUUMTGHAHTWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-14-7-4-12(5-8-14)3-6-13-11-16-15(18(21)19-13)9-10-17(20-16)23-2/h4-5,7-10,13H,3,6,11H2,1-2H3,(H,19,21).
What are the key properties of 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 312.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 167438637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).