3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C28H24ClN3O3 — CID 26133902

IUPAC3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccccc1C(=O)N1CCc2c(cc(-c3ccccc3Cl)c(=O)n2Cc2ccncc2)C1
InChIInChI=1S/C28H24ClN3O3/c1-35-26-9-5-3-7-22(26)27(33)31-15-12-25-20(18-31)16-23(21-6-2-4-8-24(21)29)28(34)32(25)17-19-10-13-30-14-11-19/h2-11,13-14,16H,12,15,17-18H2,1H3
InChIKeyNBCJFILWGUKHPS-UHFFFAOYSA-N
MW485.97 g/mol
LogP4.82
Rot. Bonds5

About 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26133902) has the molecular formula C28H24ClN3O3 and a molecular weight of 485.97 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26133902
Molecular FormulaC28H24ClN3O3
Molecular Weight485.97 g/mol
Exact Mass485.15
IUPAC Name3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCOc1ccccc1C(=O)N1CCc2c(cc(-c3ccccc3Cl)c(=O)n2Cc2ccncc2)C1
InChIInChI=1S/C28H24ClN3O3/c1-35-26-9-5-3-7-22(26)27(33)31-15-12-25-20(18-31)16-23(21-6-2-4-8-24(21)29)28(34)32(25)17-19-10-13-30-14-11-19/h2-11,13-14,16H,12,15,17-18H2,1H3
InChIKeyNBCJFILWGUKHPS-UHFFFAOYSA-N
XLogP4.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-6-[3-(2-methylimidazol-1-yl)propanoyl]-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26222953
3-(3-fluorophenyl)-6-(2-methoxybenzoyl)-1-(2-piperidin-1-ylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26139462
5-(2-chlorophenyl)-12-(2-methoxybenzoyl)-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53183910
(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 18118711
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methoxyphenyl)methanone
CID 110726074
1-benzyl-3-(2-methoxyphenyl)-6-(oxan-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26219550
1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26141341
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
[4-chloro-5-(2-chlorophenyl)-2-methoxyphenyl]-piperazin-1-ylmethanone
CID 121247762
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
[2-[(2-chlorophenyl)methoxy]phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856709
(5-chloro-2-methoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone
CID 9226327

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26133902) is 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccccc1C(=O)N1CCc2c(cc(-c3ccccc3Cl)c(=O)n2Cc2ccncc2)C1.
What is the InChIKey of 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is NBCJFILWGUKHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O3/c1-35-26-9-5-3-7-22(26)27(33)31-15-12-25-20(18-31)16-23(21-6-2-4-8-24(21)29)28(34)32(25)17-19-10-13-30-14-11-19/h2-11,13-14,16H,12,15,17-18H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 485.97 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-6-(2-methoxybenzoyl)-1-(pyridin-4-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26133902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).