4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol

C22H20N4O — CID 10405976

IUPAC4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C22H20N4O/c1-15-8-6-7-11-19(15)23-22-24-20-13-12-17(27)14-18(20)21(25-22)26(2)16-9-4-3-5-10-16/h3-14,27H,1-2H3,(H,23,24,25)
InChIKeyFPCVQBPBPHHUEX-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.16
Rot. Bonds4

About 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol

4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol (PubChem CID 10405976) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol.

Molecular Properties

Compound Name4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol
PubChem CID10405976
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol
SMILESCc1ccccc1Nc1nc(N(C)c2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C22H20N4O/c1-15-8-6-7-11-19(15)23-22-24-20-13-12-17(27)14-18(20)21(25-22)26(2)16-9-4-3-5-10-16/h3-14,27H,1-2H3,(H,23,24,25)
InChIKeyFPCVQBPBPHHUEX-UHFFFAOYSA-N
XLogP5.16
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol?
The IUPAC name of 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol (CID 10405976) is 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol.
What is the SMILES notation for 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol?
The canonical SMILES for 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol is Cc1ccccc1Nc1nc(N(C)c2ccccc2)c2cc(O)ccc2n1.
What is the InChIKey of 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol?
The InChIKey is FPCVQBPBPHHUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-8-6-7-11-19(15)23-22-24-20-13-12-17(27)14-18(20)21(25-22)26(2)16-9-4-3-5-10-16/h3-14,27H,1-2H3,(H,23,24,25).
What are the key properties of 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol?
4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol has a molecular weight of 356.43 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-methylanilino)-2-(2-methylanilino)quinazolin-6-ol is sourced from PubChem (CID 10405976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).