8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

C16H26N4S — CID 14552487

IUPAC8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCCCN1CC(CSC)CC2Cc3nc(N)ncc3CC21
InChIInChI=1S/C16H26N4S/c1-3-4-20-9-11(10-21-2)5-12-6-14-13(7-15(12)20)8-18-16(17)19-14/h8,11-12,15H,3-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyWGFUSWJMJMDIAZ-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.24
Rot. Bonds4

About 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine

8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (PubChem CID 14552487) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.

Molecular Properties

Compound Name8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
PubChem CID14552487
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
SMILESCCCN1CC(CSC)CC2Cc3nc(N)ncc3CC21
InChIInChI=1S/C16H26N4S/c1-3-4-20-9-11(10-21-2)5-12-6-14-13(7-15(12)20)8-18-16(17)19-14/h8,11-12,15H,3-7,9-10H2,1-2H3,(H2,17,18,19)
InChIKeyWGFUSWJMJMDIAZ-UHFFFAOYSA-N
XLogP2.24
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The IUPAC name of 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine (CID 14552487) is 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine.
What is the SMILES notation for 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The canonical SMILES for 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is CCCN1CC(CSC)CC2Cc3nc(N)ncc3CC21.
What is the InChIKey of 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
The InChIKey is WGFUSWJMJMDIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-3-4-20-9-11(10-21-2)5-12-6-14-13(7-15(12)20)8-18-16(17)19-14/h8,11-12,15H,3-7,9-10H2,1-2H3,(H2,17,18,19).
What are the key properties of 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine?
8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine has a molecular weight of 306.48 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylsulfanylmethyl)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine is sourced from PubChem (CID 14552487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).