ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate

C19H16Cl2N4O4S — CID 143009825

IUPACethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ncccc21
InChIInChI=1S/C19H16Cl2N4O4S/c1-2-29-14(26)8-25-12-4-3-5-22-9(12)6-11(19(25)28)24-18(27)10-7-13-16(23-10)15(20)17(21)30-13/h3-5,7,11,23H,2,6,8H2,1H3,(H,24,27)
InChIKeyIVSVXRBRRATMPZ-UHFFFAOYSA-N
MW467.33 g/mol
LogP3.18
Rot. Bonds5

About ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate

ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate (PubChem CID 143009825) has the molecular formula C19H16Cl2N4O4S and a molecular weight of 467.33 g/mol. Its IUPAC name is ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate
PubChem CID143009825
Molecular FormulaC19H16Cl2N4O4S
Molecular Weight467.33 g/mol
Exact Mass466.03
IUPAC Nameethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ncccc21
InChIInChI=1S/C19H16Cl2N4O4S/c1-2-29-14(26)8-25-12-4-3-5-22-9(12)6-11(19(25)28)24-18(27)10-7-13-16(23-10)15(20)17(21)30-13/h3-5,7,11,23H,2,6,8H2,1H3,(H,24,27)
InChIKeyIVSVXRBRRATMPZ-UHFFFAOYSA-N
XLogP3.18
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate (CID 143009825) is ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate is CCOC(=O)CN1C(=O)C(NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ncccc21.
What is the InChIKey of ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate?
The InChIKey is IVSVXRBRRATMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O4S/c1-2-29-14(26)8-25-12-4-3-5-22-9(12)6-11(19(25)28)24-18(27)10-7-13-16(23-10)15(20)17(21)30-13/h3-5,7,11,23H,2,6,8H2,1H3,(H,24,27).
What are the key properties of ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate?
ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate has a molecular weight of 467.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(2,3-dichloro-4H-thieno[3,2-b]pyrrole-5-carbonyl)amino]-2-oxo-3,4-dihydro-1,5-naphthyridin-1-yl]acetate is sourced from PubChem (CID 143009825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).