[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone

C25H22ClN3O2S — CID 23476295

IUPAC[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone
SMILESCOc1cccc(-c2c3c(nc4sc(C(=O)c5ccc(Cl)cc5)c(N)c24)CCN(C)C3)c1
InChIInChI=1S/C25H22ClN3O2S/c1-29-11-10-19-18(13-29)20(15-4-3-5-17(12-15)31-2)21-22(27)24(32-25(21)28-19)23(30)14-6-8-16(26)9-7-14/h3-9,12H,10-11,13,27H2,1-2H3
InChIKeyKJBMULGNFKEURV-UHFFFAOYSA-N
MW463.99 g/mol
LogP5.43
Rot. Bonds4

About [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone

[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone (PubChem CID 23476295) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone
PubChem CID23476295
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC Name[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone
SMILESCOc1cccc(-c2c3c(nc4sc(C(=O)c5ccc(Cl)cc5)c(N)c24)CCN(C)C3)c1
InChIInChI=1S/C25H22ClN3O2S/c1-29-11-10-19-18(13-29)20(15-4-3-5-17(12-15)31-2)21-22(27)24(32-25(21)28-19)23(30)14-6-8-16(26)9-7-14/h3-9,12H,10-11,13,27H2,1-2H3
InChIKeyKJBMULGNFKEURV-UHFFFAOYSA-N
XLogP5.43
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone (CID 23476295) is [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone is COc1cccc(-c2c3c(nc4sc(C(=O)c5ccc(Cl)cc5)c(N)c24)CCN(C)C3)c1.
What is the InChIKey of [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone?
The InChIKey is KJBMULGNFKEURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c1-29-11-10-19-18(13-29)20(15-4-3-5-17(12-15)31-2)21-22(27)24(32-25(21)28-19)23(30)14-6-8-16(26)9-7-14/h3-9,12H,10-11,13,27H2,1-2H3.
What are the key properties of [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone?
[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone has a molecular weight of 463.99 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 23476295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).