1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride

C19H21ClN4O2 — CID 52996217

IUPAC1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-13(25)14-7-9-15(10-8-14)21-19-22-17-6-3-2-5-16(17)18(23-19)20-11-4-12-24;/h2-3,5-10,24H,4,11-12H2,1H3,(H2,20,21,22,23);1H
InChIKeyGQWONDSJHMTZDO-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.79
Rot. Bonds7

About 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride

1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride (PubChem CID 52996217) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
PubChem CID52996217
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC Name1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1.Cl
InChIInChI=1S/C19H20N4O2.ClH/c1-13(25)14-7-9-15(10-8-14)21-19-22-17-6-3-2-5-16(17)18(23-19)20-11-4-12-24;/h2-3,5-10,24H,4,11-12H2,1H3,(H2,20,21,22,23);1H
InChIKeyGQWONDSJHMTZDO-UHFFFAOYSA-N
XLogP3.79
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
CID 50944617
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
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
3-[[4-(3-methoxypropylamino)quinazolin-2-yl]amino]benzoic acid
CID 91963329
2-N-(4-fluorophenyl)-4-N-propylquinazoline-2,4-diamine
CID 91966173
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
CID 91963933
methyl 4-[[4-(furan-2-ylmethylamino)quinazolin-2-yl]amino]benzoate
CID 11689305

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride (CID 52996217) is 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride is CC(=O)c1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1.Cl.
What is the InChIKey of 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride?
The InChIKey is GQWONDSJHMTZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2.ClH/c1-13(25)14-7-9-15(10-8-14)21-19-22-17-6-3-2-5-16(17)18(23-19)20-11-4-12-24;/h2-3,5-10,24H,4,11-12H2,1H3,(H2,20,21,22,23);1H.
What are the key properties of 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride?
1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 52996217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).