2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one

C27H25N3O2 — CID 3153316

IUPAC2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
SMILESCCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C27H25N3O2/c1-3-15-29-24-14-13-18(2)16-21(24)22(26(29)31)17-25-28-23-12-8-7-11-20(23)27(32)30(25)19-9-5-4-6-10-19/h4-14,16,22H,3,15,17H2,1-2H3
InChIKeyGVNYBCABIUDOPO-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.78
Rot. Bonds5

About 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one

2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one (PubChem CID 3153316) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
PubChem CID3153316
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
SMILESCCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2cc(C)ccc21
InChIInChI=1S/C27H25N3O2/c1-3-15-29-24-14-13-18(2)16-21(24)22(26(29)31)17-25-28-23-12-8-7-11-20(23)27(32)30(25)19-9-5-4-6-10-19/h4-14,16,22H,3,15,17H2,1-2H3
InChIKeyGVNYBCABIUDOPO-UHFFFAOYSA-N
XLogP4.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one (CID 3153316) is 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one is CCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2cc(C)ccc21.
What is the InChIKey of 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
The InChIKey is GVNYBCABIUDOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-3-15-29-24-14-13-18(2)16-21(24)22(26(29)31)17-25-28-23-12-8-7-11-20(23)27(32)30(25)19-9-5-4-6-10-19/h4-14,16,22H,3,15,17H2,1-2H3.
What are the key properties of 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one?
2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one has a molecular weight of 423.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-oxo-1-propyl-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 3153316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).