2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

C18H19N3O — CID 943239

IUPAC2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N3CCc4ccccc43)nc2C1
InChIInChI=1S/C18H19N3O/c1-18(2)9-14-13(16(22)10-18)11-19-17(20-14)21-8-7-12-5-3-4-6-15(12)21/h3-6,11H,7-10H2,1-2H3
InChIKeyJNTZDRFKRAFAIF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.33
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one

2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (PubChem CID 943239) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
PubChem CID943239
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
SMILESCC1(C)CC(=O)c2cnc(N3CCc4ccccc43)nc2C1
InChIInChI=1S/C18H19N3O/c1-18(2)9-14-13(16(22)10-18)11-19-17(20-14)21-8-7-12-5-3-4-6-15(12)21/h3-6,11H,7-10H2,1-2H3
InChIKeyJNTZDRFKRAFAIF-UHFFFAOYSA-N
XLogP3.33
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one with MolForge

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
1-(2-Amino-4-methyl-quinazolin-7-yl)-3,6,6-trimethyl-1,5,6,7-tetrahydro-indol-4-one
CID 25061752
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
CID 665345
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
ER-37328
CID 21849939
9-Methyl-2-[3-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrrolo[3,2-h]quinazoline-7-carboxamide
CID 52949335
2-(2,3-dihydro-1H-indol-1-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 663648
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 663860
2-(3,5-dimethylpiperidin-1-yl)-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664565

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one (CID 943239) is 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is CC1(C)CC(=O)c2cnc(N3CCc4ccccc43)nc2C1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
The InChIKey is JNTZDRFKRAFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-18(2)9-14-13(16(22)10-18)11-19-17(20-14)21-8-7-12-5-3-4-6-15(12)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one?
2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one is sourced from PubChem (CID 943239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).