2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol

C22H19N3O3 — CID 1327191

IUPAC2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol
SMILESCOc1ccc(OC)c(Nc2nc(-c3ccccc3O)nc3ccccc23)c1
InChIInChI=1S/C22H19N3O3/c1-27-14-11-12-20(28-2)18(13-14)24-21-15-7-3-5-9-17(15)23-22(25-21)16-8-4-6-10-19(16)26/h3-13,26H,1-2H3,(H,23,24,25)
InChIKeyNDVOPZYCBHNEDI-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.76
Rot. Bonds5

About 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol

2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol (PubChem CID 1327191) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol
PubChem CID1327191
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol
SMILESCOc1ccc(OC)c(Nc2nc(-c3ccccc3O)nc3ccccc23)c1
InChIInChI=1S/C22H19N3O3/c1-27-14-11-12-20(28-2)18(13-14)24-21-15-7-3-5-9-17(15)23-22(25-21)16-8-4-6-10-19(16)26/h3-13,26H,1-2H3,(H,23,24,25)
InChIKeyNDVOPZYCBHNEDI-UHFFFAOYSA-N
XLogP4.76
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol (CID 1327191) is 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol is COc1ccc(OC)c(Nc2nc(-c3ccccc3O)nc3ccccc23)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol?
The InChIKey is NDVOPZYCBHNEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-14-11-12-20(28-2)18(13-14)24-21-15-7-3-5-9-17(15)23-22(25-21)16-8-4-6-10-19(16)26/h3-13,26H,1-2H3,(H,23,24,25).
What are the key properties of 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol?
2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol has a molecular weight of 373.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyanilino)quinazolin-2-yl]phenol is sourced from PubChem (CID 1327191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).