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

C23H27N3O4S — CID 57149622

IUPAC(3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)cc(OC)c1OC
InChIInChI=1S/C23H27N3O4S/c1-12(2)26-7-6-16-14(11-26)8-15-19(24)22(31-23(15)25-16)20(27)13-9-17(28-3)21(30-5)18(10-13)29-4/h8-10,12H,6-7,11,24H2,1-5H3
InChIKeyXQPJQMOORNSYDU-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.90
Rot. Bonds6

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

(3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 57149622) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID57149622
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name(3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)cc(OC)c1OC
InChIInChI=1S/C23H27N3O4S/c1-12(2)26-7-6-16-14(11-26)8-15-19(24)22(31-23(15)25-16)20(27)13-9-17(28-3)21(30-5)18(10-13)29-4/h8-10,12H,6-7,11,24H2,1-5H3
InChIKeyXQPJQMOORNSYDU-UHFFFAOYSA-N
XLogP3.90
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866580
[3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone
CID 171133235
N-[(1R)-1-(1-adamantyl)ethyl]-3-amino-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 40810552
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
CID 23971387
1-[3,4-diamino-5-(3,4,5-trimethoxybenzoyl)thieno[2,3-b]thiophen-2-yl]ethanone
CID 57149752
(6-amino-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraen-5-yl)-pyridin-4-ylmethanone
CID 171133135
methyl 2-(5-amino-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 82581973
(6-amino-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraen-5-yl)-(4-bromophenyl)methanone
CID 1333149
3-amino-N-(4-ethoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866586
[(6R)-3-amino-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(2,5-dimethoxyphenyl)methanone
CID 1004292
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(3-bromophenyl)methanone
CID 23823851
6-amino-N-(2,4-dimethoxyphenyl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1025275

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 57149622) is (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2sc3nc4c(cc3c2N)CN(C(C)C)CC4)cc(OC)c1OC.
What is the InChIKey of (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is XQPJQMOORNSYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-12(2)26-7-6-16-14(11-26)8-15-19(24)22(31-23(15)25-16)20(27)13-9-17(28-3)21(30-5)18(10-13)29-4/h8-10,12H,6-7,11,24H2,1-5H3.
What are the key properties of (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone?
(3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 441.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 57149622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).