6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline

C24H18BrN3 — CID 164613161

IUPAC6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline
SMILESCCn1c(-c2ccccc2)c(-c2ncnc3ccc(Br)cc23)c2ccccc21
InChIInChI=1S/C24H18BrN3/c1-2-28-21-11-7-6-10-18(21)22(24(28)16-8-4-3-5-9-16)23-19-14-17(25)12-13-20(19)26-15-27-23/h3-15H,2H2,1H3
InChIKeyISMZLTLQCYKRHM-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.70
Rot. Bonds3

About 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline

6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline (PubChem CID 164613161) has the molecular formula C24H18BrN3 and a molecular weight of 428.33 g/mol. Its IUPAC name is 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline.

Molecular Properties

Compound Name6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline
PubChem CID164613161
Molecular FormulaC24H18BrN3
Molecular Weight428.33 g/mol
Exact Mass427.07
IUPAC Name6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline
SMILESCCn1c(-c2ccccc2)c(-c2ncnc3ccc(Br)cc23)c2ccccc21
InChIInChI=1S/C24H18BrN3/c1-2-28-21-11-7-6-10-18(21)22(24(28)16-8-4-3-5-9-16)23-19-14-17(25)12-13-20(19)26-15-27-23/h3-15H,2H2,1H3
InChIKeyISMZLTLQCYKRHM-UHFFFAOYSA-N
XLogP6.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Meridianin C
CID 10017019
N-(3-bromophenyl)-8-methyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328285
6-Bromo-4-(4-methylpiperazin-1-yl)quinazoline
CID 720655
6-bromo-N-m-tolylquinazolin-4-amine
CID 720633
N-(3-bromophenyl)-5-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 5328386
N-(3-bromophenyl)-9-methyl-9H-pyrimido[4,5-b]indol-4-amine
CID 5328393
11-Bromo-5,6,7,8-Tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-B]indol-2-Amine
CID 58221397
7-[(4-Bromophenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531165
N-(3-bromophenyl)-8-[2-(dimethylamino)ethyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328287
N-(3-bromophenyl)-8-[3-(dimethylamino)propyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 5328288
6-Bromo-1-m-tolyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-4-ylamine
CID 9549483
ST50182375
CID 1187421

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline?
The IUPAC name of 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline (CID 164613161) is 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline.
What is the SMILES notation for 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline?
The canonical SMILES for 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline is CCn1c(-c2ccccc2)c(-c2ncnc3ccc(Br)cc23)c2ccccc21.
What is the InChIKey of 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline?
The InChIKey is ISMZLTLQCYKRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3/c1-2-28-21-11-7-6-10-18(21)22(24(28)16-8-4-3-5-9-16)23-19-14-17(25)12-13-20(19)26-15-27-23/h3-15H,2H2,1H3.
What are the key properties of 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline?
6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline has a molecular weight of 428.33 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(1-ethyl-2-phenylindol-3-yl)quinazoline is sourced from PubChem (CID 164613161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).