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

C17H13N3O2 — CID 110702568

IUPAC4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one
SMILESO=C(c1nc(=O)[nH]c2ccccc12)N1CCc2ccccc21
InChIInChI=1S/C17H13N3O2/c21-16(20-10-9-11-5-1-4-8-14(11)20)15-12-6-2-3-7-13(12)18-17(22)19-15/h1-8H,9-10H2,(H,18,19,22)
InChIKeyBQICPVMXWWYXME-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.13
Rot. Bonds1

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

4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one (PubChem CID 110702568) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one
PubChem CID110702568
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one
SMILESO=C(c1nc(=O)[nH]c2ccccc12)N1CCc2ccccc21
InChIInChI=1S/C17H13N3O2/c21-16(20-10-9-11-5-1-4-8-14(11)20)15-12-6-2-3-7-13(12)18-17(22)19-15/h1-8H,9-10H2,(H,18,19,22)
InChIKeyBQICPVMXWWYXME-UHFFFAOYSA-N
XLogP2.13
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 107517784
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 16525586
2,3-dihydroindol-1-yl(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanone
CID 90725768
2,3-dihydroindol-1-yl-(6-methyl-2-pyridinyl)methanone
CID 33315959
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
CID 113207338
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
CID 78802141
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1H-quinolin-2-one
CID 71900043
1-(2,3-dihydroindol-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one
CID 23999264
2-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-3H-quinazolin-4-one
CID 135659956
6-(2,3-dihydroindole-1-carbonyl)-3H-1,3-benzoxazol-2-one
CID 110766380
(4-amino-1,3-dimethylpyrazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 66120055

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one (CID 110702568) is 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one is O=C(c1nc(=O)[nH]c2ccccc12)N1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one?
The InChIKey is BQICPVMXWWYXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-16(20-10-9-11-5-1-4-8-14(11)20)15-12-6-2-3-7-13(12)18-17(22)19-15/h1-8H,9-10H2,(H,18,19,22).
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one?
4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one has a molecular weight of 291.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-1H-quinazolin-2-one is sourced from PubChem (CID 110702568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).