1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C27H28N2O4 — CID 45165138

IUPAC1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1cccc(Cn2c3c(cc(-c4ccccc4)c2=O)CN(C(=O)C2CCOC2)CC3)c1
InChIInChI=1S/C27H28N2O4/c1-32-23-9-5-6-19(14-23)16-29-25-10-12-28(26(30)21-11-13-33-18-21)17-22(25)15-24(27(29)31)20-7-3-2-4-8-20/h2-9,14-15,21H,10-13,16-18H2,1H3
InChIKeyFXMLMUZQPMBHPQ-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.49
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 45165138) has the molecular formula C27H28N2O4 and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID45165138
Molecular FormulaC27H28N2O4
Molecular Weight444.53 g/mol
Exact Mass444.20
IUPAC Name1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1cccc(Cn2c3c(cc(-c4ccccc4)c2=O)CN(C(=O)C2CCOC2)CC3)c1
InChIInChI=1S/C27H28N2O4/c1-32-23-9-5-6-19(14-23)16-29-25-10-12-28(26(30)21-11-13-33-18-21)17-22(25)15-24(27(29)31)20-7-3-2-4-8-20/h2-9,14-15,21H,10-13,16-18H2,1H3
InChIKeyFXMLMUZQPMBHPQ-UHFFFAOYSA-N
XLogP3.49
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxyphenyl)methyl]-4-(oxolane-3-carbonyl)piperazin-2-one
CID 118771406
3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3747490
(6R)-1-(3-methoxyphenyl)-6-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-2-one
CID 25306547
6-(2-ethyl-5-methylpyrazole-3-carbonyl)-3-(3-methoxyphenyl)-1-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26221930
1-(2-methoxyethyl)-7-(oxolane-3-carbonyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-2-one
CID 134078748
8-[(4-methoxyphenyl)methyl]-13-(oxolane-3-carbonyl)-10-thia-3,5,6,8,13-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,11(16)-tetraen-7-one
CID 118485654
[3-(3-ethylphenoxy)azetidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 96578519
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
5-(azepane-1-carbonyl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
CID 24790814
ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26142747
[4-[6-ethyl-5-[(3-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-3-yl)methanone
CID 83286476
(6R)-6-[(3-methoxyphenyl)methoxy]-4-(oxane-4-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
CID 26138132

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 45165138) is 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1cccc(Cn2c3c(cc(-c4ccccc4)c2=O)CN(C(=O)C2CCOC2)CC3)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is FXMLMUZQPMBHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O4/c1-32-23-9-5-6-19(14-23)16-29-25-10-12-28(26(30)21-11-13-33-18-21)17-22(25)15-24(27(29)31)20-7-3-2-4-8-20/h2-9,14-15,21H,10-13,16-18H2,1H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 444.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 45165138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).