2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol

C17H18N4O2 — CID 91963677

IUPAC2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
SMILESCOCCNc1nc(Nc2ccccc2O)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c1-23-11-10-18-16-12-6-2-3-7-13(12)19-17(21-16)20-14-8-4-5-9-15(14)22/h2-9,22H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyBRSZTFUVDLRGGH-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.14
Rot. Bonds6

About 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol

2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol (PubChem CID 91963677) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
PubChem CID91963677
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol
SMILESCOCCNc1nc(Nc2ccccc2O)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c1-23-11-10-18-16-12-6-2-3-7-13(12)19-17(21-16)20-14-8-4-5-9-15(14)22/h2-9,22H,10-11H2,1H3,(H2,18,19,20,21)
InChIKeyBRSZTFUVDLRGGH-UHFFFAOYSA-N
XLogP3.14
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol?
The IUPAC name of 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol (CID 91963677) is 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol is COCCNc1nc(Nc2ccccc2O)nc2ccccc12.
What is the InChIKey of 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol?
The InChIKey is BRSZTFUVDLRGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-23-11-10-18-16-12-6-2-3-7-13(12)19-17(21-16)20-14-8-4-5-9-15(14)22/h2-9,22H,10-11H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol?
2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol has a molecular weight of 310.36 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethylamino)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 91963677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).