2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine

C22H19FN4 — CID 10247817

IUPAC2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H19FN4/c1-15-14-16(23)12-13-19(15)24-22-25-20-11-7-6-10-18(20)21(26-22)27(2)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25,26)
InChIKeyIMQYJJHCUIJGFP-UHFFFAOYSA-N
MW358.42 g/mol
LogP5.59
Rot. Bonds4

About 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine

2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (PubChem CID 10247817) has the molecular formula C22H19FN4 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
PubChem CID10247817
Molecular FormulaC22H19FN4
Molecular Weight358.42 g/mol
Exact Mass358.16
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C22H19FN4/c1-15-14-16(23)12-13-19(15)24-22-25-20-11-7-6-10-18(20)21(26-22)27(2)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25,26)
InChIKeyIMQYJJHCUIJGFP-UHFFFAOYSA-N
XLogP5.59
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine (CID 10247817) is 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine is Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
The InChIKey is IMQYJJHCUIJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4/c1-15-14-16(23)12-13-19(15)24-22-25-20-11-7-6-10-18(20)21(26-22)27(2)17-8-4-3-5-9-17/h3-14H,1-2H3,(H,24,25,26).
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine?
2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine has a molecular weight of 358.42 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine is sourced from PubChem (CID 10247817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).