3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride

C19H21ClN4O2 — CID 6602553

IUPAC3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O2.ClH/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15;/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23);1H
InChIKeyNJIDCASBRKMMBG-UHFFFAOYSA-N
MW372.86 g/mol
LogP4.09
Rot. Bonds5

About 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride

3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride (PubChem CID 6602553) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
PubChem CID6602553
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride
SMILESCl.Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1
InChIInChI=1S/C19H20N4O2.ClH/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15;/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23);1H
InChIKeyNJIDCASBRKMMBG-UHFFFAOYSA-N
XLogP4.09
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The IUPAC name of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride (CID 6602553) is 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride.
What is the SMILES notation for 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The canonical SMILES for 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride is Cl.Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1.
What is the InChIKey of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
The InChIKey is NJIDCASBRKMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c24-14-6-3-5-13(11-14)21-19-22-17-9-2-1-8-16(17)18(23-19)20-12-15-7-4-10-25-15;/h1-3,5-6,8-9,11,15,24H,4,7,10,12H2,(H2,20,21,22,23);1H.
What are the key properties of 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride?
3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol;hydrochloride is sourced from PubChem (CID 6602553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).