8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine

C14H20N2OS — CID 115008450

IUPAC8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine
SMILESCOc1ccc2c(c1)C(N)C1CSCCC1N2C
InChIInChI=1S/C14H20N2OS/c1-16-12-4-3-9(17-2)7-10(12)14(15)11-8-18-6-5-13(11)16/h3-4,7,11,13-14H,5-6,8,15H2,1-2H3
InChIKeyQQBJXQHLKFJDFW-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.27
Rot. Bonds1

About 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine

8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine (PubChem CID 115008450) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine.

Molecular Properties

Compound Name8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine
PubChem CID115008450
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine
SMILESCOc1ccc2c(c1)C(N)C1CSCCC1N2C
InChIInChI=1S/C14H20N2OS/c1-16-12-4-3-9(17-2)7-10(12)14(15)11-8-18-6-5-13(11)16/h3-4,7,11,13-14H,5-6,8,15H2,1-2H3
InChIKeyQQBJXQHLKFJDFW-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine with MolForge

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Launch Full Analysis

Related Compounds

8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008442
7-methoxy-3,4,4a,5,10,10a-hexahydro-1H-thiopyrano[4,3-b]quinolin-10-amine
CID 115008376
7-methoxy-10-methyl-2,3,4,4a,9,9a-hexahydro-1H-acridine-9-carboxylic acid
CID 115008178
8-methoxy-5-methyl-2,3,4,4a,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
CID 115007928
2-methoxy-5-methyl-6,10b-dihydro-5aH-indeno[2,1-b]indole
CID 167260146
7-methoxy-2-methyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[b][1,6]naphthyridin-10-amine
CID 115008380
6-methoxy-4-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinoline-9-carboxylic acid
CID 115008080
(4S)-6-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 82886827
1-[(2S,3R,4R)-4-amino-2-cyclopropyl-6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118660494
(5R)-7-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82885997
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
(2,4-dimethoxyphenyl)-(thiolan-3-yl)methanol
CID 105096043

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine?
The IUPAC name of 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine (CID 115008450) is 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine.
What is the SMILES notation for 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine?
The canonical SMILES for 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine is COc1ccc2c(c1)C(N)C1CSCCC1N2C.
What is the InChIKey of 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine?
The InChIKey is QQBJXQHLKFJDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16-12-4-3-9(17-2)7-10(12)14(15)11-8-18-6-5-13(11)16/h3-4,7,11,13-14H,5-6,8,15H2,1-2H3.
What are the key properties of 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine?
8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine has a molecular weight of 264.39 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-1,3,4,4a,10,10a-hexahydrothiopyrano[4,3-b]quinolin-10-amine is sourced from PubChem (CID 115008450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).