3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride

C16H16ClN4O2- — CID 53351223

IUPAC3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
SMILESOCCNc1nc(Nc2cccc(O)c2)nc2ccccc12.[Cl-]
InChIInChI=1S/C16H16N4O2.ClH/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11;/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20);1H/p-1
InChIKeyFQMNAIVPKVTYHD-UHFFFAOYSA-M
MW331.78 g/mol
LogP-0.51
Rot. Bonds5

About 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride

3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride (PubChem CID 53351223) has the molecular formula C16H16ClN4O2- and a molecular weight of 331.78 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
PubChem CID53351223
Molecular FormulaC16H16ClN4O2-
Molecular Weight331.78 g/mol
Exact Mass331.10
IUPAC Name3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
SMILESOCCNc1nc(Nc2cccc(O)c2)nc2ccccc12.[Cl-]
InChIInChI=1S/C16H16N4O2.ClH/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11;/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20);1H/p-1
InChIKeyFQMNAIVPKVTYHD-UHFFFAOYSA-M
XLogP-0.51
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride?
The IUPAC name of 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride (CID 53351223) is 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride.
What is the SMILES notation for 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride?
The canonical SMILES for 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride is OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12.[Cl-].
What is the InChIKey of 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride?
The InChIKey is FQMNAIVPKVTYHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N4O2.ClH/c21-9-8-17-15-13-6-1-2-7-14(13)19-16(20-15)18-11-4-3-5-12(22)10-11;/h1-7,10,21-22H,8-9H2,(H2,17,18,19,20);1H/p-1.
What are the key properties of 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride?
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride has a molecular weight of 331.78 g/mol, XLogP of -0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride is sourced from PubChem (CID 53351223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).