2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol

C18H19N3O2 — CID 662767

IUPAC2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol
SMILESCOc1cccc(-c2nc(NC(C)C)c3ccccc3n2)c1O
InChIInChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)
InChIKeyXFJDOMZEJAXJPU-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.83
Rot. Bonds4

About 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol

2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol (PubChem CID 662767) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol
PubChem CID662767
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol
SMILESCOc1cccc(-c2nc(NC(C)C)c3ccccc3n2)c1O
InChIInChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21)
InChIKeyXFJDOMZEJAXJPU-UHFFFAOYSA-N
XLogP3.83
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol?
The IUPAC name of 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol (CID 662767) is 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol is COc1cccc(-c2nc(NC(C)C)c3ccccc3n2)c1O.
What is the InChIKey of 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol?
The InChIKey is XFJDOMZEJAXJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11(2)19-17-12-7-4-5-9-14(12)20-18(21-17)13-8-6-10-15(23-3)16(13)22/h4-11,22H,1-3H3,(H,19,20,21).
What are the key properties of 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol?
2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol has a molecular weight of 309.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[4-(propan-2-ylamino)quinazolin-2-yl]phenol is sourced from PubChem (CID 662767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).