N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine

C21H16BrFN4 — CID 166336127

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine
SMILESCN(Cc1ccc(Br)c(F)c1)c1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H16BrFN4/c1-27(13-14-9-10-16(22)17(23)12-14)21-15-6-2-3-7-18(15)25-20(26-21)19-8-4-5-11-24-19/h2-12H,13H2,1H3
InChIKeyMEWINOGXADBOKM-UHFFFAOYSA-N
MW423.29 g/mol
LogP5.23
Rot. Bonds4

About N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine

N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine (PubChem CID 166336127) has the molecular formula C21H16BrFN4 and a molecular weight of 423.29 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine
PubChem CID166336127
Molecular FormulaC21H16BrFN4
Molecular Weight423.29 g/mol
Exact Mass422.05
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine
SMILESCN(Cc1ccc(Br)c(F)c1)c1nc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C21H16BrFN4/c1-27(13-14-9-10-16(22)17(23)12-14)21-15-6-2-3-7-18(15)25-20(26-21)19-8-4-5-11-24-19/h2-12H,13H2,1H3
InChIKeyMEWINOGXADBOKM-UHFFFAOYSA-N
XLogP5.23
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.29
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
N-[(5-bromothiophen-3-yl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56587593
N-benzyl-6-bromo-N-methyl-2-phenylquinazolin-4-amine
CID 23994050
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[[methyl(pyridin-2-ylmethyl)amino]methyl]quinazolin-4-amine
CID 126465938
N-[(2-fluorophenyl)methyl]-N,5,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56584468
3-[2-carboxyethyl-(2-pyridin-2-ylquinazolin-4-yl)amino]propanoic acid
CID 59273870
N-benzyl-2-(4-bromophenyl)-6-chloro-N-methylquinazolin-4-amine
CID 68860862
4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290960
4-chloro-2-pyridin-2-ylquinazoline
CID 930716
3-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61373552
1-(3-bromo-4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 54971683
N-[(4-bromo-3-fluorophenyl)methyl]-N-methylethanamine
CID 130683573

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine (CID 166336127) is N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine is CN(Cc1ccc(Br)c(F)c1)c1nc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
The InChIKey is MEWINOGXADBOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrFN4/c1-27(13-14-9-10-16(22)17(23)12-14)21-15-6-2-3-7-18(15)25-20(26-21)19-8-4-5-11-24-19/h2-12H,13H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine has a molecular weight of 423.29 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-N-methyl-2-pyridin-2-ylquinazolin-4-amine is sourced from PubChem (CID 166336127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).