2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one

C19H16F3N3O — CID 135512362

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCC1Cc2ccccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1
InChIInChI=1S/C19H16F3N3O/c1-11-8-12-4-2-3-5-16(12)25(11)10-17-23-15-9-13(19(20,21)22)6-7-14(15)18(26)24-17/h2-7,9,11H,8,10H2,1H3,(H,23,24,26)
InChIKeyYOEGERCJLNWCLX-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.89
Rot. Bonds2

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 135512362) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID135512362
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESCC1Cc2ccccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1
InChIInChI=1S/C19H16F3N3O/c1-11-8-12-4-2-3-5-16(12)25(11)10-17-23-15-9-13(19(20,21)22)6-7-14(15)18(26)24-17/h2-7,9,11H,8,10H2,1H3,(H,23,24,26)
InChIKeyYOEGERCJLNWCLX-UHFFFAOYSA-N
XLogP3.89
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one (CID 135512362) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one is CC1Cc2ccccc2N1Cc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is YOEGERCJLNWCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-11-8-12-4-2-3-5-16(12)25(11)10-17-23-15-9-13(19(20,21)22)6-7-14(15)18(26)24-17/h2-7,9,11H,8,10H2,1H3,(H,23,24,26).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 359.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-7-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135512362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).