2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one

C27H24BrN3O — CID 14843042

IUPAC2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one
SMILESCCc1cccc(-n2c(CC(C)c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1
InChIInChI=1S/C27H24BrN3O/c1-3-18-7-6-8-20(14-18)31-26(30-25-10-5-4-9-21(25)27(31)32)13-17(2)23-16-29-24-12-11-19(28)15-22(23)24/h4-12,14-17,29H,3,13H2,1-2H3
InChIKeyCFYXMCWBLUMMPL-UHFFFAOYSA-N
MW486.41 g/mol
LogP6.54
Rot. Bonds5

About 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one

2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one (PubChem CID 14843042) has the molecular formula C27H24BrN3O and a molecular weight of 486.41 g/mol. Its IUPAC name is 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one
PubChem CID14843042
Molecular FormulaC27H24BrN3O
Molecular Weight486.41 g/mol
Exact Mass485.11
IUPAC Name2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one
SMILESCCc1cccc(-n2c(CC(C)c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1
InChIInChI=1S/C27H24BrN3O/c1-3-18-7-6-8-20(14-18)31-26(30-25-10-5-4-9-21(25)27(31)32)13-17(2)23-16-29-24-12-11-19(28)15-22(23)24/h4-12,14-17,29H,3,13H2,1-2H3
InChIKeyCFYXMCWBLUMMPL-UHFFFAOYSA-N
XLogP6.54
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one with MolForge

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Related Compounds

Fumiquinazoline F
CID 10089772
Fiscalin B
CID 10091548
N-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(5-bromo-1H-indol-3-yl)-acetamide
CID 11539744
Fumiquinazoline G
CID 10247811
(7S)-6,7-Dihydro-7-(1H-indol-3-ylmethyl)quinazolino(3,2-a)(1,4)benzodiazepine-5,13-dione
CID 146429
2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-3-(3-methylphenyl)quinazolin-4(3H)-one
CID 5725295
17-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
CID 15549947
2-[(E)-2-(1H-indol-3-yl)ethenyl]-3-(3-methylphenyl)quinazolin-4(3H)-one
CID 135419127
2-[2-(1H-Indol-3-yl)-vinyl]-3-(4-nitro-phenyl)-3H-quinazolin-4-one
CID 135439013
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-4-carboxamide
CID 11245659
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyridine-2-carboxamide
CID 11394601
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide
CID 11406023

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one?
The IUPAC name of 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one (CID 14843042) is 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one is CCc1cccc(-n2c(CC(C)c3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one?
The InChIKey is CFYXMCWBLUMMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24BrN3O/c1-3-18-7-6-8-20(14-18)31-26(30-25-10-5-4-9-21(25)27(31)32)13-17(2)23-16-29-24-12-11-19(28)15-22(23)24/h4-12,14-17,29H,3,13H2,1-2H3.
What are the key properties of 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one?
2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one has a molecular weight of 486.41 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-1H-indol-3-yl)propyl]-3-(3-ethylphenyl)quinazolin-4-one is sourced from PubChem (CID 14843042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).