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

C17H18N4O2 — CID 50945420

IUPAC4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
SMILESOCCCNc1nc(Nc2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c22-11-3-10-18-16-14-4-1-2-5-15(14)20-17(21-16)19-12-6-8-13(23)9-7-12/h1-2,4-9,22-23H,3,10-11H2,(H2,18,19,20,21)
InChIKeyXSOYBGFWFMMSRP-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.87
Rot. Bonds6

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

4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol (PubChem CID 50945420) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
PubChem CID50945420
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
SMILESOCCCNc1nc(Nc2ccc(O)cc2)nc2ccccc12
InChIInChI=1S/C17H18N4O2/c22-11-3-10-18-16-14-4-1-2-5-15(14)20-17(21-16)19-12-6-8-13(23)9-7-12/h1-2,4-9,22-23H,3,10-11H2,(H2,18,19,20,21)
InChIKeyXSOYBGFWFMMSRP-UHFFFAOYSA-N
XLogP2.87
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 52996217
3-[[4-(2-hydroxyethylamino)quinazolin-2-yl]amino]phenol chloride
CID 53351223
4-[(2-hydrazinylquinazolin-4-yl)amino]butan-1-ol
CID 106847076
2-N-(4-chlorophenyl)-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 91963152
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
4-[[4-(4-methoxyanilino)quinazolin-2-yl]amino]phenol
CID 54556640
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
2-[[2-[3-(trifluoromethyl)anilino]quinazolin-4-yl]amino]ethanol
CID 50944549
3-[[2-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]quinazolin-4-yl]amino]propan-1-ol
CID 166636614
2-[[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)quinazolin-4-yl]amino]ethanol
CID 167820063

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol (CID 50945420) is 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol is OCCCNc1nc(Nc2ccc(O)cc2)nc2ccccc12.
What is the InChIKey of 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol?
The InChIKey is XSOYBGFWFMMSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-11-3-10-18-16-14-4-1-2-5-15(14)20-17(21-16)19-12-6-8-13(23)9-7-12/h1-2,4-9,22-23H,3,10-11H2,(H2,18,19,20,21).
What are the key properties of 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol?
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol has a molecular weight of 310.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol is sourced from PubChem (CID 50945420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).