2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine

C24H23FN4O — CID 10318929

IUPAC2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccc(F)cc3C)nc12
InChIInChI=1S/C24H23FN4O/c1-15-8-5-6-10-20(15)29(3)23-18-9-7-11-21(30-4)22(18)27-24(28-23)26-19-13-12-17(25)14-16(19)2/h5-14H,1-4H3,(H,26,27,28)
InChIKeyDWHCDLUAZMCOJR-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.91
Rot. Bonds5

About 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine

2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine (PubChem CID 10318929) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
PubChem CID10318929
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine
SMILESCOc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccc(F)cc3C)nc12
InChIInChI=1S/C24H23FN4O/c1-15-8-5-6-10-20(15)29(3)23-18-9-7-11-21(30-4)22(18)27-24(28-23)26-19-13-12-17(25)14-16(19)2/h5-14H,1-4H3,(H,26,27,28)
InChIKeyDWHCDLUAZMCOJR-UHFFFAOYSA-N
XLogP5.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The IUPAC name of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine (CID 10318929) is 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The canonical SMILES for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine is COc1cccc2c(N(C)c3ccccc3C)nc(Nc3ccc(F)cc3C)nc12.
What is the InChIKey of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
The InChIKey is DWHCDLUAZMCOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-15-8-5-6-10-20(15)29(3)23-18-9-7-11-21(30-4)22(18)27-24(28-23)26-19-13-12-17(25)14-16(19)2/h5-14H,1-4H3,(H,26,27,28).
What are the key properties of 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine?
2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine has a molecular weight of 402.47 g/mol, XLogP of 5.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-fluoro-2-methylphenyl)-8-methoxy-4-N-methyl-4-N-(2-methylphenyl)quinazoline-2,4-diamine is sourced from PubChem (CID 10318929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).