N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine

C14H11BrFN3S — CID 78901234

IUPACN-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
SMILESCN(Cc1ccc(Br)s1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C14H11BrFN3S/c1-19(7-10-3-5-13(15)20-10)14-11-6-9(16)2-4-12(11)17-8-18-14/h2-6,8H,7H2,1H3
InChIKeySBCMLGPYLFZBDG-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.23
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine

N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine (PubChem CID 78901234) has the molecular formula C14H11BrFN3S and a molecular weight of 352.23 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
PubChem CID78901234
Molecular FormulaC14H11BrFN3S
Molecular Weight352.23 g/mol
Exact Mass350.98
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine
SMILESCN(Cc1ccc(Br)s1)c1ncnc2ccc(F)cc12
InChIInChI=1S/C14H11BrFN3S/c1-19(7-10-3-5-13(15)20-10)14-11-6-9(16)2-4-12(11)17-8-18-14/h2-6,8H,7H2,1H3
InChIKeySBCMLGPYLFZBDG-UHFFFAOYSA-N
XLogP4.23
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine (CID 78901234) is N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine is CN(Cc1ccc(Br)s1)c1ncnc2ccc(F)cc12.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine?
The InChIKey is SBCMLGPYLFZBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFN3S/c1-19(7-10-3-5-13(15)20-10)14-11-6-9(16)2-4-12(11)17-8-18-14/h2-6,8H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine?
N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-6-fluoro-N-methylquinazolin-4-amine is sourced from PubChem (CID 78901234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).