N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine

C20H16FN3S — CID 2573666

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine
SMILESCN(Cc1ccccc1F)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H16FN3S/c1-24(13-14-7-2-4-9-16(14)21)20-15-8-3-5-10-17(15)22-19(23-20)18-11-6-12-25-18/h2-12H,13H2,1H3
InChIKeyHYPFWOTVMPRAHH-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.13
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine

N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine (PubChem CID 2573666) has the molecular formula C20H16FN3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine
PubChem CID2573666
Molecular FormulaC20H16FN3S
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine
SMILESCN(Cc1ccccc1F)c1nc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C20H16FN3S/c1-24(13-14-7-2-4-9-16(14)21)20-15-8-3-5-10-17(15)22-19(23-20)18-11-6-12-25-18/h2-12H,13H2,1H3
InChIKeyHYPFWOTVMPRAHH-UHFFFAOYSA-N
XLogP5.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine (CID 2573666) is N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine is CN(Cc1ccccc1F)c1nc(-c2cccs2)nc2ccccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine?
The InChIKey is HYPFWOTVMPRAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3S/c1-24(13-14-7-2-4-9-16(14)21)20-15-8-3-5-10-17(15)22-19(23-20)18-11-6-12-25-18/h2-12H,13H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine?
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine has a molecular weight of 349.43 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylquinazolin-4-amine is sourced from PubChem (CID 2573666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).