6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C29H26N2O3S — CID 26137018

IUPAC6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1ccc(C(=O)N2CCc3c(cc(-c4cccc5ccsc45)c(=O)n3CC3CC3)C2)cc1
InChIInChI=1S/C29H26N2O3S/c1-18(32)20-7-9-22(10-8-20)28(33)30-13-11-26-23(17-30)15-25(29(34)31(26)16-19-5-6-19)24-4-2-3-21-12-14-35-27(21)24/h2-4,7-10,12,14-15,19H,5-6,11,13,16-17H2,1H3
InChIKeyAZLPDDFNEFZEDA-UHFFFAOYSA-N
MW482.61 g/mol
LogP5.54
Rot. Bonds5

About 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26137018) has the molecular formula C29H26N2O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26137018
Molecular FormulaC29H26N2O3S
Molecular Weight482.61 g/mol
Exact Mass482.17
IUPAC Name6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(=O)c1ccc(C(=O)N2CCc3c(cc(-c4cccc5ccsc45)c(=O)n3CC3CC3)C2)cc1
InChIInChI=1S/C29H26N2O3S/c1-18(32)20-7-9-22(10-8-20)28(33)30-13-11-26-23(17-30)15-25(29(34)31(26)16-19-5-6-19)24-4-2-3-21-12-14-35-27(21)24/h2-4,7-10,12,14-15,19H,5-6,11,13,16-17H2,1H3
InChIKeyAZLPDDFNEFZEDA-UHFFFAOYSA-N
XLogP5.54
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.61
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26137018) is 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(=O)c1ccc(C(=O)N2CCc3c(cc(-c4cccc5ccsc45)c(=O)n3CC3CC3)C2)cc1.
What is the InChIKey of 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is AZLPDDFNEFZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S/c1-18(32)20-7-9-22(10-8-20)28(33)30-13-11-26-23(17-30)15-25(29(34)31(26)16-19-5-6-19)24-4-2-3-21-12-14-35-27(21)24/h2-4,7-10,12,14-15,19H,5-6,11,13,16-17H2,1H3.
What are the key properties of 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 482.61 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylbenzoyl)-3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26137018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).