6-bromo-4-naphthalen-2-ylquinazolin-2-amine

C18H12BrN3 — CID 125180223

IUPAC6-bromo-4-naphthalen-2-ylquinazolin-2-amine
SMILESNc1nc(-c2ccc3ccccc3c2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H12BrN3/c19-14-7-8-16-15(10-14)17(22-18(20)21-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,20,21,22)
InChIKeyASHCDSFXYIPDOS-UHFFFAOYSA-N
MW350.22 g/mol
LogP4.79
Rot. Bonds1

About 6-bromo-4-naphthalen-2-ylquinazolin-2-amine

6-bromo-4-naphthalen-2-ylquinazolin-2-amine (PubChem CID 125180223) has the molecular formula C18H12BrN3 and a molecular weight of 350.22 g/mol. Its IUPAC name is 6-bromo-4-naphthalen-2-ylquinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-4-naphthalen-2-ylquinazolin-2-amine
PubChem CID125180223
Molecular FormulaC18H12BrN3
Molecular Weight350.22 g/mol
Exact Mass349.02
IUPAC Name6-bromo-4-naphthalen-2-ylquinazolin-2-amine
SMILESNc1nc(-c2ccc3ccccc3c2)c2cc(Br)ccc2n1
InChIInChI=1S/C18H12BrN3/c19-14-7-8-16-15(10-14)17(22-18(20)21-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,20,21,22)
InChIKeyASHCDSFXYIPDOS-UHFFFAOYSA-N
XLogP4.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-4-naphthalen-2-ylpyrido[3,2-d]pyrimidin-2-amine
CID 68913112
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
2-bromonaphthalene
CID 50940586
2-[2-(4-bromophenyl)phenyl]naphthalene
CID 134433047
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
2-bromo-9,10-bis(4-naphthalen-2-ylphenyl)anthracene
CID 58121670
6-bromo-2-phenylquinazolin-4-amine
CID 15879877
4-phenylquinazolin-2-amine;hydrochloride
CID 174298789
2-bromo-6-(3-bromonaphthalen-1-yl)naphthalene
CID 142720539
6-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthridine
CID 58323745
4-naphthalen-2-yl-2-propan-2-ylquinazoline
CID 130266064
2-(7-bromonaphthalen-2-yl)-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171457187

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-naphthalen-2-ylquinazolin-2-amine?
The IUPAC name of 6-bromo-4-naphthalen-2-ylquinazolin-2-amine (CID 125180223) is 6-bromo-4-naphthalen-2-ylquinazolin-2-amine.
What is the SMILES notation for 6-bromo-4-naphthalen-2-ylquinazolin-2-amine?
The canonical SMILES for 6-bromo-4-naphthalen-2-ylquinazolin-2-amine is Nc1nc(-c2ccc3ccccc3c2)c2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-4-naphthalen-2-ylquinazolin-2-amine?
The InChIKey is ASHCDSFXYIPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3/c19-14-7-8-16-15(10-14)17(22-18(20)21-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,20,21,22).
What are the key properties of 6-bromo-4-naphthalen-2-ylquinazolin-2-amine?
6-bromo-4-naphthalen-2-ylquinazolin-2-amine has a molecular weight of 350.22 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-naphthalen-2-ylquinazolin-2-amine is sourced from PubChem (CID 125180223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).