2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine

C22H17BrFN3 — CID 68863808

IUPAC2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2nc(-c3ccc(Br)cc3)nc(NCc3ccccc3F)c2c1
InChIInChI=1S/C22H17BrFN3/c1-14-6-11-20-18(12-14)22(25-13-16-4-2-3-5-19(16)24)27-21(26-20)15-7-9-17(23)10-8-15/h2-12H,13H2,1H3,(H,25,26,27)
InChIKeyAPHMOVWUVRAHSN-UHFFFAOYSA-N
MW422.30 g/mol
LogP6.12
Rot. Bonds4

About 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine

2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine (PubChem CID 68863808) has the molecular formula C22H17BrFN3 and a molecular weight of 422.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine
PubChem CID68863808
Molecular FormulaC22H17BrFN3
Molecular Weight422.30 g/mol
Exact Mass421.06
IUPAC Name2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine
SMILESCc1ccc2nc(-c3ccc(Br)cc3)nc(NCc3ccccc3F)c2c1
InChIInChI=1S/C22H17BrFN3/c1-14-6-11-20-18(12-14)22(25-13-16-4-2-3-5-19(16)24)27-21(26-20)15-7-9-17(23)10-8-15/h2-12H,13H2,1H3,(H,25,26,27)
InChIKeyAPHMOVWUVRAHSN-UHFFFAOYSA-N
XLogP6.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.30
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine (CID 68863808) is 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine is Cc1ccc2nc(-c3ccc(Br)cc3)nc(NCc3ccccc3F)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine?
The InChIKey is APHMOVWUVRAHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrFN3/c1-14-6-11-20-18(12-14)22(25-13-16-4-2-3-5-19(16)24)27-21(26-20)15-7-9-17(23)10-8-15/h2-12H,13H2,1H3,(H,25,26,27).
What are the key properties of 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine?
2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine has a molecular weight of 422.30 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2-fluorophenyl)methyl]-6-methylquinazolin-4-amine is sourced from PubChem (CID 68863808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).