6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one

C19H19N3O2 — CID 166771415

IUPAC6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(CN3C[C@@H](C)c4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C19H19N3O2/c1-12-10-22(17-6-4-3-5-14(12)17)11-18-20-16-8-7-13(24-2)9-15(16)19(23)21-18/h3-9,12H,10-11H2,1-2H3,(H,20,21,23)/t12-/m1/s1
InChIKeyVXIGELQIONJFAB-GFCCVEGCSA-N
MW321.38 g/mol
LogP3.06
Rot. Bonds3

About 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one

6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 166771415) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID166771415
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one
SMILESCOc1ccc2nc(CN3C[C@@H](C)c4ccccc43)[nH]c(=O)c2c1
InChIInChI=1S/C19H19N3O2/c1-12-10-22(17-6-4-3-5-14(12)17)11-18-20-16-8-7-13(24-2)9-15(16)19(23)21-18/h3-9,12H,10-11H2,1-2H3,(H,20,21,23)/t12-/m1/s1
InChIKeyVXIGELQIONJFAB-GFCCVEGCSA-N
XLogP3.06
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one (CID 166771415) is 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one is COc1ccc2nc(CN3C[C@@H](C)c4ccccc43)[nH]c(=O)c2c1.
What is the InChIKey of 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is VXIGELQIONJFAB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-10-22(17-6-4-3-5-14(12)17)11-18-20-16-8-7-13(24-2)9-15(16)19(23)21-18/h3-9,12H,10-11H2,1-2H3,(H,20,21,23)/t12-/m1/s1.
What are the key properties of 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one?
6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 321.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 166771415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).