(3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone

C19H19N3OS — CID 706939

IUPAC(3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone
SMILESCCN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1
InChIInChI=1S/C19H19N3OS/c1-2-22-9-8-15-13(11-22)10-14-16(20)18(24-19(14)21-15)17(23)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11,20H2,1H3
InChIKeyCNTFGRDBWOJCMS-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.49
Rot. Bonds3

About (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone

(3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone (PubChem CID 706939) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone
PubChem CID706939
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone
SMILESCCN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1
InChIInChI=1S/C19H19N3OS/c1-2-22-9-8-15-13(11-22)10-14-16(20)18(24-19(14)21-15)17(23)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11,20H2,1H3
InChIKeyCNTFGRDBWOJCMS-UHFFFAOYSA-N
XLogP3.49
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone (CID 706939) is (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone is CCN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1.
What is the InChIKey of (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
The InChIKey is CNTFGRDBWOJCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-22-9-8-15-13(11-22)10-14-16(20)18(24-19(14)21-15)17(23)12-6-4-3-5-7-12/h3-7,10H,2,8-9,11,20H2,1H3.
What are the key properties of (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
(3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone has a molecular weight of 337.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-ethyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 706939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).