7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one

C18H15N3O2S — CID 31921305

IUPAC7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O
InChIInChI=1S/C18H15N3O2S/c1-20-17(23)13-7-6-12(10-14(13)19-18(20)24)16(22)21-9-8-11-4-2-3-5-15(11)21/h2-7,10H,8-9H2,1H3,(H,19,24)
InChIKeyIREZQTPEEYQLEN-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.80
Rot. Bonds1

About 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one

7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one (PubChem CID 31921305) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one.

Molecular Properties

Compound Name7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
PubChem CID31921305
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
SMILESCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O
InChIInChI=1S/C18H15N3O2S/c1-20-17(23)13-7-6-12(10-14(13)19-18(20)24)16(22)21-9-8-11-4-2-3-5-15(11)21/h2-7,10H,8-9H2,1H3,(H,19,24)
InChIKeyIREZQTPEEYQLEN-UHFFFAOYSA-N
XLogP2.80
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.80
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-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-ethyl-2-sulfanylidene-1H-quinazolin-4-one
CID 51339858
7-(azepane-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 27659115
7-(6,7-diethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 24550582
7-(2,3-dihydroindole-1-carbonyl)-4-ethyl-1H-quinoxaline-2,3-dione
CID 26681014
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110766380
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
3-methyl-4-oxo-N-(1-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111022
7-[2-(4-fluorophenyl)morpholine-4-carbonyl]-3-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 134044414
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
The IUPAC name of 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one (CID 31921305) is 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one.
What is the SMILES notation for 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
The canonical SMILES for 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one is Cn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O.
What is the InChIKey of 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
The InChIKey is IREZQTPEEYQLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-20-17(23)13-7-6-12(10-14(13)19-18(20)24)16(22)21-9-8-11-4-2-3-5-15(11)21/h2-7,10H,8-9H2,1H3,(H,19,24).
What are the key properties of 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one?
7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one has a molecular weight of 337.40 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroindole-1-carbonyl)-3-methyl-2-sulfanylidene-1H-quinazolin-4-one is sourced from PubChem (CID 31921305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).