1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione

C20H18N2O2S2 — CID 123200766

IUPAC1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione
SMILESCc1ccsc1-c1cc2c(cc(-c3sccc3C)c(=O)n2C)n(C)c1=O
InChIInChI=1S/C20H18N2O2S2/c1-11-5-7-25-17(11)13-9-15-16(21(3)19(13)23)10-14(20(24)22(15)4)18-12(2)6-8-26-18/h5-10H,1-4H3
InChIKeyFZEXDBFYVYYNFU-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.31
Rot. Bonds2

About 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione

1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione (PubChem CID 123200766) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione.

Molecular Properties

Compound Name1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione
PubChem CID123200766
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione
SMILESCc1ccsc1-c1cc2c(cc(-c3sccc3C)c(=O)n2C)n(C)c1=O
InChIInChI=1S/C20H18N2O2S2/c1-11-5-7-25-17(11)13-9-15-16(21(3)19(13)23)10-14(20(24)22(15)4)18-12(2)6-8-26-18/h5-10H,1-4H3
InChIKeyFZEXDBFYVYYNFU-UHFFFAOYSA-N
XLogP4.31
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione?
The IUPAC name of 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione (CID 123200766) is 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione.
What is the SMILES notation for 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione?
The canonical SMILES for 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione is Cc1ccsc1-c1cc2c(cc(-c3sccc3C)c(=O)n2C)n(C)c1=O.
What is the InChIKey of 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione?
The InChIKey is FZEXDBFYVYYNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-11-5-7-25-17(11)13-9-15-16(21(3)19(13)23)10-14(20(24)22(15)4)18-12(2)6-8-26-18/h5-10H,1-4H3.
What are the key properties of 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione?
1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione has a molecular weight of 382.51 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3,7-bis(3-methylthiophen-2-yl)-1,5-naphthyridine-2,6-dione is sourced from PubChem (CID 123200766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).