2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one

C19H19N3O — CID 54777929

IUPAC2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one
SMILESCC(C)N1C(=O)c2ccccc2NC1c1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O/c1-12(2)22-18(15-11-20-16-9-5-3-7-13(15)16)21-17-10-6-4-8-14(17)19(22)23/h3-12,18,20-21H,1-2H3
InChIKeyQEPOLVMZYPBYNU-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.14
Rot. Bonds2

About 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one

2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 54777929) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID54777929
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one
SMILESCC(C)N1C(=O)c2ccccc2NC1c1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O/c1-12(2)22-18(15-11-20-16-9-5-3-7-13(15)16)21-17-10-6-4-8-14(17)19(22)23/h3-12,18,20-21H,1-2H3
InChIKeyQEPOLVMZYPBYNU-UHFFFAOYSA-N
XLogP4.14
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one (CID 54777929) is 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one is CC(C)N1C(=O)c2ccccc2NC1c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is QEPOLVMZYPBYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12(2)22-18(15-11-20-16-9-5-3-7-13(15)16)21-17-10-6-4-8-14(17)19(22)23/h3-12,18,20-21H,1-2H3.
What are the key properties of 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one?
2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 305.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-3-propan-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 54777929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).