2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

C17H16FN3O — CID 11208709

IUPAC2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(CF)nc3ccccc23)cc1
InChIInChI=1S/C17H16FN3O/c1-21(12-7-9-13(22-2)10-8-12)17-14-5-3-4-6-15(14)19-16(11-18)20-17/h3-10H,11H2,1-2H3
InChIKeyJGEQHBFWBZGDSK-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.88
Rot. Bonds4

About 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine

2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (PubChem CID 11208709) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
PubChem CID11208709
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
SMILESCOc1ccc(N(C)c2nc(CF)nc3ccccc23)cc1
InChIInChI=1S/C17H16FN3O/c1-21(12-7-9-13(22-2)10-8-12)17-14-5-3-4-6-15(14)19-16(11-18)20-17/h3-10H,11H2,1-2H3
InChIKeyJGEQHBFWBZGDSK-UHFFFAOYSA-N
XLogP3.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The IUPAC name of 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (CID 11208709) is 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine.
What is the SMILES notation for 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The canonical SMILES for 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is COc1ccc(N(C)c2nc(CF)nc3ccccc23)cc1.
What is the InChIKey of 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
The InChIKey is JGEQHBFWBZGDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-21(12-7-9-13(22-2)10-8-12)17-14-5-3-4-6-15(14)19-16(11-18)20-17/h3-10H,11H2,1-2H3.
What are the key properties of 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine?
2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine has a molecular weight of 297.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine is sourced from PubChem (CID 11208709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).