N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide

C17H19N3OS — CID 1479381

IUPACN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C17H19N3OS/c1-11(2)22-10-15(21)19-17-18-9-13-8-7-12-5-3-4-6-14(12)16(13)20-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19,20,21)
InChIKeyFOQBPBYBUJWXRK-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.32
Rot. Bonds4

About N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide

N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide (PubChem CID 1479381) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide
PubChem CID1479381
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide
SMILESCC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2
InChIInChI=1S/C17H19N3OS/c1-11(2)22-10-15(21)19-17-18-9-13-8-7-12-5-3-4-6-14(12)16(13)20-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19,20,21)
InChIKeyFOQBPBYBUJWXRK-UHFFFAOYSA-N
XLogP3.32
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6s)-6-Phenyl-5,6-Dihydrobenzo[h]quinazolin-2-Amine
CID 51346202
N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 935780
5,6-Dihydrobenzo[h]quinazolin-2-amine
CID 2763483
2-pyrimidin-2-ylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4878484
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)benzenecarboxamide
CID 1483614
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)cyclopropanecarboxamide
CID 2769019
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-(propylsulfanyl)acetamide
CID 3706035
5,6-Dihydrobenzo(H)quinazoline hydrochloride
CID 12259516
1-(5,6-Dihydrobenzo[h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
CID 142610878
N-(1-phenylethyl)-2-[[4-(trifluoromethyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]sulfanyl]acetamide
CID 3143970
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 798092
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-thiophenecarboxamide
CID 2769026

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide?
The IUPAC name of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide (CID 1479381) is N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide?
The canonical SMILES for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide is CC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2.
What is the InChIKey of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide?
The InChIKey is FOQBPBYBUJWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11(2)22-10-15(21)19-17-18-9-13-8-7-12-5-3-4-6-14(12)16(13)20-17/h3-6,9,11H,7-8,10H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide?
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide has a molecular weight of 313.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-2-propan-2-ylsulfanylacetamide is sourced from PubChem (CID 1479381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).