8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide

C15H17N3OS — CID 82452021

IUPAC8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
SMILESCOc1ccc2nc3c(c(C(N)=S)c2c1)CN(C)CC3
InChIInChI=1S/C15H17N3OS/c1-18-6-5-13-11(8-18)14(15(16)20)10-7-9(19-2)3-4-12(10)17-13/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20)
InChIKeyCBQFUKZIRBDISD-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.87
Rot. Bonds2

About 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide

8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide (PubChem CID 82452021) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide.

Molecular Properties

Compound Name8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
PubChem CID82452021
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
SMILESCOc1ccc2nc3c(c(C(N)=S)c2c1)CN(C)CC3
InChIInChI=1S/C15H17N3OS/c1-18-6-5-13-11(8-18)14(15(16)20)10-7-9(19-2)3-4-12(10)17-13/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20)
InChIKeyCBQFUKZIRBDISD-UHFFFAOYSA-N
XLogP1.87
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451391
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbonitrile
CID 82452014
ethyl 10-carbamoyl-8-methoxy-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-2-carboxylate
CID 10782569
8-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 110489469
2,6,7-trimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82450693
8-chloro-2-ethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451410
[2-(4-methoxyphenyl)-2-oxoethyl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 2424741
2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
CID 933509
[1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23773827
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate
CID 23860134
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
7-methoxy-1,2,3,4-tetrahydroacridine-9-carbohydrazide
CID 82452012

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
The IUPAC name of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide (CID 82452021) is 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide.
What is the SMILES notation for 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
The canonical SMILES for 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide is COc1ccc2nc3c(c(C(N)=S)c2c1)CN(C)CC3.
What is the InChIKey of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
The InChIKey is CBQFUKZIRBDISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-18-6-5-13-11(8-18)14(15(16)20)10-7-9(19-2)3-4-12(10)17-13/h3-4,7H,5-6,8H2,1-2H3,(H2,16,20).
What are the key properties of 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide?
8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide has a molecular weight of 287.39 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide is sourced from PubChem (CID 82452021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).