7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one

C20H19N3O2S — CID 51339858

IUPAC7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCCn1c(=S)[nH]c2cc(C(=O)N3CCCc4ccccc43)ccc2c1=O
InChIInChI=1S/C20H19N3O2S/c1-2-22-19(25)15-10-9-14(12-16(15)21-20(22)26)18(24)23-11-5-7-13-6-3-4-8-17(13)23/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,21,26)
InChIKeyNZLYISMHYYILLM-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.67
Rot. Bonds2

About 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one

7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 51339858) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID51339858
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCCn1c(=S)[nH]c2cc(C(=O)N3CCCc4ccccc43)ccc2c1=O
InChIInChI=1S/C20H19N3O2S/c1-2-22-19(25)15-10-9-14(12-16(15)21-20(22)26)18(24)23-11-5-7-13-6-3-4-8-17(13)23/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,21,26)
InChIKeyNZLYISMHYYILLM-UHFFFAOYSA-N
XLogP3.67
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31921305
7-(azepane-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659116
7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
CID 26681014
7-(4-benzylpiperazine-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27671511
3-ethyl-7-[(2R)-2-ethylazepane-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 99610462
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883
N,N,3-triethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 37250315
3-ethyl-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 39640964
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3-[2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119972
7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 31936059
3-ethyl-N-(1-ethylcyclobutyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 122145152

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one (CID 51339858) is 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one is CCn1c(=S)[nH]c2cc(C(=O)N3CCCc4ccccc43)ccc2c1=O.
What is the InChIKey of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is NZLYISMHYYILLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-2-22-19(25)15-10-9-14(12-16(15)21-20(22)26)18(24)23-11-5-7-13-6-3-4-8-17(13)23/h3-4,6,8-10,12H,2,5,7,11H2,1H3,(H,21,26).
What are the key properties of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one?
7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 365.46 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 51339858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).