2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol

C22H19FN4O — CID 10044934

IUPAC2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(O)c2n1
InChIInChI=1S/C22H19FN4O/c1-14-13-15(23)11-12-18(14)24-22-25-20-17(9-6-10-19(20)28)21(26-22)27(2)16-7-4-3-5-8-16/h3-13,28H,1-2H3,(H,24,25,26)
InChIKeyDEVJTOGYUBPZFN-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.29
Rot. Bonds4

About 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol

2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol (PubChem CID 10044934) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol.

Molecular Properties

Compound Name2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol
PubChem CID10044934
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol
SMILESCc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(O)c2n1
InChIInChI=1S/C22H19FN4O/c1-14-13-15(23)11-12-18(14)24-22-25-20-17(9-6-10-19(20)28)21(26-22)27(2)16-7-4-3-5-8-16/h3-13,28H,1-2H3,(H,24,25,26)
InChIKeyDEVJTOGYUBPZFN-UHFFFAOYSA-N
XLogP5.29
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol?
The IUPAC name of 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol (CID 10044934) is 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol.
What is the SMILES notation for 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol?
The canonical SMILES for 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol is Cc1cc(F)ccc1Nc1nc(N(C)c2ccccc2)c2cccc(O)c2n1.
What is the InChIKey of 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol?
The InChIKey is DEVJTOGYUBPZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-14-13-15(23)11-12-18(14)24-22-25-20-17(9-6-10-19(20)28)21(26-22)27(2)16-7-4-3-5-8-16/h3-13,28H,1-2H3,(H,24,25,26).
What are the key properties of 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol?
2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol has a molecular weight of 374.42 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol is sourced from PubChem (CID 10044934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).