2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride

C19H17ClN4O2 — CID 2952918

IUPAC2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
SMILESCl.Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C19H16N4O2.ClH/c24-17-10-4-3-9-16(17)22-19-21-15-8-2-1-7-14(15)18(23-19)20-12-13-6-5-11-25-13;/h1-11,24H,12H2,(H2,20,21,22,23);1H
InChIKeyNEJYXMRABWUWPB-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.71
Rot. Bonds5

About 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride

2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride (PubChem CID 2952918) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
PubChem CID2952918
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
SMILESCl.Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C19H16N4O2.ClH/c24-17-10-4-3-9-16(17)22-19-21-15-8-2-1-7-14(15)18(23-19)20-12-13-6-5-11-25-13;/h1-11,24H,12H2,(H2,20,21,22,23);1H
InChIKeyNEJYXMRABWUWPB-UHFFFAOYSA-N
XLogP4.71
TPSA83.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'melamine_A(3)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The IUPAC name of 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride (CID 2952918) is 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride.
What is the SMILES notation for 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The canonical SMILES for 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride is Cl.Oc1ccccc1Nc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The InChIKey is NEJYXMRABWUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2.ClH/c24-17-10-4-3-9-16(17)22-19-21-15-8-2-1-7-14(15)18(23-19)20-12-13-6-5-11-25-13;/h1-11,24H,12H2,(H2,20,21,22,23);1H.
What are the key properties of 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride has a molecular weight of 368.82 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride is sourced from PubChem (CID 2952918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).