(2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen

C22H20F3N3O — CID 143686425

IUPAC(2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen
SMILESCc1ccc2c(=O)[nH]c(-c3ccccc3F)nc2c1.NCc1ccc(F)cc1F.[H][H]
InChIInChI=1S/C15H11FN2O.C7H7F2N.H2/c1-9-6-7-11-13(8-9)17-14(18-15(11)19)10-4-2-3-5-12(10)16;8-6-2-1-5(4-10)7(9)3-6;/h2-8H,1H3,(H,17,18,19);1-3H,4,10H2;1H
InChIKeyUEGWHWWNPWEEES-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.71
Rot. Bonds2

About (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen

(2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen (PubChem CID 143686425) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen.

Molecular Properties

Compound Name(2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen
PubChem CID143686425
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC Name(2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen
SMILESCc1ccc2c(=O)[nH]c(-c3ccccc3F)nc2c1.NCc1ccc(F)cc1F.[H][H]
InChIInChI=1S/C15H11FN2O.C7H7F2N.H2/c1-9-6-7-11-13(8-9)17-14(18-15(11)19)10-4-2-3-5-12(10)16;8-6-2-1-5(4-10)7(9)3-6;/h2-8H,1H3,(H,17,18,19);1-3H,4,10H2;1H
InChIKeyUEGWHWWNPWEEES-UHFFFAOYSA-N
XLogP4.71
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen?
The IUPAC name of (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen (CID 143686425) is (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen.
What is the SMILES notation for (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen?
The canonical SMILES for (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen is Cc1ccc2c(=O)[nH]c(-c3ccccc3F)nc2c1.NCc1ccc(F)cc1F.[H][H].
What is the InChIKey of (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen?
The InChIKey is UEGWHWWNPWEEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O.C7H7F2N.H2/c1-9-6-7-11-13(8-9)17-14(18-15(11)19)10-4-2-3-5-12(10)16;8-6-2-1-5(4-10)7(9)3-6;/h2-8H,1H3,(H,17,18,19);1-3H,4,10H2;1H.
What are the key properties of (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen?
(2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen has a molecular weight of 399.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methanamine;2-(2-fluorophenyl)-7-methyl-3H-quinazolin-4-one;molecular hydrogen is sourced from PubChem (CID 143686425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).