1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C16H22N6OS — CID 57388887

IUPAC1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCSc1ncc2c(n1)-c1c(c(C(N)=O)nn1CCCN(C)C)CC2
InChIInChI=1S/C16H22N6OS/c1-21(2)7-4-8-22-14-11(13(20-22)15(17)23)6-5-10-9-18-16(24-3)19-12(10)14/h9H,4-8H2,1-3H3,(H2,17,23)
InChIKeyRFAYIBDZFAINQL-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.21
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 57388887) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID57388887
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCSc1ncc2c(n1)-c1c(c(C(N)=O)nn1CCCN(C)C)CC2
InChIInChI=1S/C16H22N6OS/c1-21(2)7-4-8-22-14-11(13(20-22)15(17)23)6-5-10-9-18-16(24-3)19-12(10)14/h9H,4-8H2,1-3H3,(H2,17,23)
InChIKeyRFAYIBDZFAINQL-UHFFFAOYSA-N
XLogP1.21
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 57388887) is 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CSc1ncc2c(n1)-c1c(c(C(N)=O)nn1CCCN(C)C)CC2.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is RFAYIBDZFAINQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-21(2)7-4-8-22-14-11(13(20-22)15(17)23)6-5-10-9-18-16(24-3)19-12(10)14/h9H,4-8H2,1-3H3,(H2,17,23).
What are the key properties of 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 57388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).