1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one

C17H19N3OS — CID 165180728

IUPAC1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CSc1ncc2c(n1)-c1cccnc1CC2
InChIInChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyDIKYWZUDUGEQDD-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.34
Rot. Bonds3

About 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one

1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one (PubChem CID 165180728) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
PubChem CID165180728
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
SMILESCC(C)(C)C(=O)CSc1ncc2c(n1)-c1cccnc1CC2
InChIInChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyDIKYWZUDUGEQDD-UHFFFAOYSA-N
XLogP3.34
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-4-quinolinylacetamide
CID 934786
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 1154148
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(pyrimidin-2-ylthio)ethanone
CID 1084806
1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one
CID 142610876
1-(5,6-Dihydrobenzo[h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one
CID 142610878
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 798092
3,3-Dimethyl-1-pyrimido[5,4-c]quinolin-2-ylsulfanylbutan-2-one
CID 142610871
1-[(6-acetyl-5H-pyrimido[5,4-c]quinolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one
CID 142610882
N-(4-propan-2-ylphenyl)-2-(4-pyridin-3-ylpyrimidin-2-yl)sulfanylacetamide
CID 2824279
2-Cyclohexylsulfanyl-5-methyl-4-(m-tolylmethyl)pyrimidine
CID 465886
4-Phenyl-9-thia-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaene
CID 11288925
2-[1-(6-Methyl-3-pyridinyl)ethylsulfanyl]pyrimidine
CID 44367485

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one (CID 165180728) is 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one is CC(C)(C)C(=O)CSc1ncc2c(n1)-c1cccnc1CC2.
What is the InChIKey of 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
The InChIKey is DIKYWZUDUGEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-17(2,3)14(21)10-22-16-19-9-11-6-7-13-12(15(11)20-16)5-4-8-18-13/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one?
1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one has a molecular weight of 313.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydropyrido[2,3-h]quinazolin-2-ylsulfanyl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 165180728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).