N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine

C15H11BrFN3 — CID 133292923

IUPACN-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3ccc(Br)cc3)c2c1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyRWGXIPXDDKRFJH-UHFFFAOYSA-N
MW332.18 g/mol
LogP4.14
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine

N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine (PubChem CID 133292923) has the molecular formula C15H11BrFN3 and a molecular weight of 332.18 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
PubChem CID133292923
Molecular FormulaC15H11BrFN3
Molecular Weight332.18 g/mol
Exact Mass331.01
IUPAC NameN-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3ccc(Br)cc3)c2c1
InChIInChI=1S/C15H11BrFN3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
InChIKeyRWGXIPXDDKRFJH-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-5-ylmethyl)-6-fluoroquinazolin-4-amine
CID 51037841
N-[(3-chlorophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 78901321
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-fluoroquinazolin-4-amine
CID 133269866
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[(4-fluorophenyl)methyl]-6,7-dimethoxyquinazolin-4-amine
CID 1474879
6-bromo-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]quinazolin-4-amine
CID 133314883
6-bromo-N-[(3,5-difluoro-2-pyridinyl)methyl]quinazolin-4-amine
CID 155340154
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-fluoroquinazolin-4-amine
CID 78901330
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine (CID 133292923) is N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NCc3ccc(Br)cc3)c2c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine?
The InChIKey is RWGXIPXDDKRFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20).
What are the key properties of N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine?
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine has a molecular weight of 332.18 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 133292923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).