2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline

C24H17BrN2 — CID 134285471

IUPAC2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline
SMILESBrc1ccc(-c2nc3c(c(-c4ccc5ccccc5c4)n2)C=CCC3)cc1
InChIInChI=1S/C24H17BrN2/c25-20-13-11-17(12-14-20)24-26-22-8-4-3-7-21(22)23(27-24)19-10-9-16-5-1-2-6-18(16)15-19/h1-3,5-7,9-15H,4,8H2
InChIKeyLKQRZUAFHXUFSX-UHFFFAOYSA-N
MW413.32 g/mol
LogP6.69
Rot. Bonds2

About 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline

2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline (PubChem CID 134285471) has the molecular formula C24H17BrN2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline
PubChem CID134285471
Molecular FormulaC24H17BrN2
Molecular Weight413.32 g/mol
Exact Mass412.06
IUPAC Name2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline
SMILESBrc1ccc(-c2nc3c(c(-c4ccc5ccccc5c4)n2)C=CCC3)cc1
InChIInChI=1S/C24H17BrN2/c25-20-13-11-17(12-14-20)24-26-22-8-4-3-7-21(22)23(27-24)19-10-9-16-5-1-2-6-18(16)15-19/h1-3,5-7,9-15H,4,8H2
InChIKeyLKQRZUAFHXUFSX-UHFFFAOYSA-N
XLogP6.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
2-[4-[2-(3,5-diphenylphenyl)-7,8-dihydroquinazolin-4-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 163542028
4-(4-bromophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 130452830
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-chloro-4-phenyl-7,8-dihydroquinazoline
CID 142568227
2-methyl-4-phenyl-7,8-dihydroquinazoline
CID 135178820
2-[3-(7,8-dihydronaphthalen-2-yl)-5-iodophenyl]naphthalene
CID 70959813
4,6-dibromo-2-naphthalen-2-ylpyrimidine
CID 71324653
9-[4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2-dihydrocarbazole
CID 146489535
1,6-dibromo-3-(5,6-dihydronaphthalen-2-yl)-8-naphthalen-2-ylpyrene
CID 143938198
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171457187
2,4-bis(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 153292216

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline?
The IUPAC name of 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline (CID 134285471) is 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline?
The canonical SMILES for 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline is Brc1ccc(-c2nc3c(c(-c4ccc5ccccc5c4)n2)C=CCC3)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline?
The InChIKey is LKQRZUAFHXUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrN2/c25-20-13-11-17(12-14-20)24-26-22-8-4-3-7-21(22)23(27-24)19-10-9-16-5-1-2-6-18(16)15-19/h1-3,5-7,9-15H,4,8H2.
What are the key properties of 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline?
2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline has a molecular weight of 413.32 g/mol, XLogP of 6.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-naphthalen-2-yl-7,8-dihydroquinazoline is sourced from PubChem (CID 134285471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).