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

C18H17N3OS — CID 690870

IUPAC(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone
SMILESCN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1
InChIInChI=1S/C18H17N3OS/c1-21-8-7-14-12(10-21)9-13-15(19)17(23-18(13)20-14)16(22)11-5-3-2-4-6-11/h2-6,9H,7-8,10,19H2,1H3
InChIKeyPZZSZBRBEKPUQJ-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.10
Rot. Bonds2

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

(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone (PubChem CID 690870) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone
PubChem CID690870
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone
SMILESCN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1
InChIInChI=1S/C18H17N3OS/c1-21-8-7-14-12(10-21)9-13-15(19)17(23-18(13)20-14)16(22)11-5-3-2-4-6-11/h2-6,9H,7-8,10,19H2,1H3
InChIKeyPZZSZBRBEKPUQJ-UHFFFAOYSA-N
XLogP3.10
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
The IUPAC name of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone (CID 690870) is (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone.
What is the SMILES notation for (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
The canonical SMILES for (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone is CN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1.
What is the InChIKey of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
The InChIKey is PZZSZBRBEKPUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-21-8-7-14-12(10-21)9-13-15(19)17(23-18(13)20-14)16(22)11-5-3-2-4-6-11/h2-6,9H,7-8,10,19H2,1H3.
What are the key properties of (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone?
(3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone has a molecular weight of 323.42 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-phenylmethanone is sourced from PubChem (CID 690870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).