1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C27H30N2O3 — CID 26219550

IUPAC1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccccc1-c1cc2c(n(Cc3ccccc3)c1=O)CCN(C1CCOCC1)C2
InChIInChI=1S/C27H30N2O3/c1-31-26-10-6-5-9-23(26)24-17-21-19-28(22-12-15-32-16-13-22)14-11-25(21)29(27(24)30)18-20-7-3-2-4-8-20/h2-10,17,22H,11-16,18-19H2,1H3
InChIKeyPUWITZJNLDZSNW-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.11
Rot. Bonds5

About 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26219550) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26219550
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccccc1-c1cc2c(n(Cc3ccccc3)c1=O)CCN(C1CCOCC1)C2
InChIInChI=1S/C27H30N2O3/c1-31-26-10-6-5-9-23(26)24-17-21-19-28(22-12-15-32-16-13-22)14-11-25(21)29(27(24)30)18-20-7-3-2-4-8-20/h2-10,17,22H,11-16,18-19H2,1H3
InChIKeyPUWITZJNLDZSNW-UHFFFAOYSA-N
XLogP4.11
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-6-(oxolane-3-carbonyl)-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45165138
3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26133902
1-benzyl-3-(2-methoxyphenyl)-1,8-naphthyridin-2-one
CID 139602460
4-(1-benzylpyrrolidin-3-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepine
CID 154133662
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(1-propylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26225062
(4aR,7aR)-4-benzyl-6-(oxan-4-yl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 155985802
ethyl 4-(1-methyl-2-oxo-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)piperidine-1-carboxylate
CID 56855713
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263
(6S)-4-benzyl-6-(4-fluoro-2-methoxyphenyl)morpholin-3-one
CID 72725322
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-[(3S)-thiolan-3-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26140353
(3aS,6aR)-3-[(2-methoxyphenyl)methyl]-5-(oxan-4-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 42566146
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26219550) is 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccccc1-c1cc2c(n(Cc3ccccc3)c1=O)CCN(C1CCOCC1)C2.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is PUWITZJNLDZSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-31-26-10-6-5-9-23(26)24-17-21-19-28(22-12-15-32-16-13-22)14-11-25(21)29(27(24)30)18-20-7-3-2-4-8-20/h2-10,17,22H,11-16,18-19H2,1H3.
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 430.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26219550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).