3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol

C16H15N3O — CID 58329354

IUPAC3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol
SMILESCNc1nc(C)c2cc(-c3cccc(O)c3)ccc2n1
InChIInChI=1S/C16H15N3O/c1-10-14-9-12(11-4-3-5-13(20)8-11)6-7-15(14)19-16(17-2)18-10/h3-9,20H,1-2H3,(H,17,18,19)
InChIKeyRLHBRGKYFUIXRK-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.35
Rot. Bonds2

About 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol

3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol (PubChem CID 58329354) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol.

Molecular Properties

Compound Name3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol
PubChem CID58329354
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol
SMILESCNc1nc(C)c2cc(-c3cccc(O)c3)ccc2n1
InChIInChI=1S/C16H15N3O/c1-10-14-9-12(11-4-3-5-13(20)8-11)6-7-15(14)19-16(17-2)18-10/h3-9,20H,1-2H3,(H,17,18,19)
InChIKeyRLHBRGKYFUIXRK-UHFFFAOYSA-N
XLogP3.35
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
The IUPAC name of 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol (CID 58329354) is 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol.
What is the SMILES notation for 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
The canonical SMILES for 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol is CNc1nc(C)c2cc(-c3cccc(O)c3)ccc2n1.
What is the InChIKey of 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
The InChIKey is RLHBRGKYFUIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-14-9-12(11-4-3-5-13(20)8-11)6-7-15(14)19-16(17-2)18-10/h3-9,20H,1-2H3,(H,17,18,19).
What are the key properties of 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol is sourced from PubChem (CID 58329354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).