N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide

C19H21N5O2 — CID 50944617

IUPACN-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1
InChIInChI=1S/C19H21N5O2/c1-13(26)21-14-7-9-15(10-8-14)22-19-23-17-6-3-2-5-16(17)18(24-19)20-11-4-12-25/h2-3,5-10,25H,4,11-12H2,1H3,(H,21,26)(H2,20,22,23,24)
InChIKeyQBYQHMBSHRIVBG-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.13
Rot. Bonds7

About N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide (PubChem CID 50944617) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
PubChem CID50944617
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1
InChIInChI=1S/C19H21N5O2/c1-13(26)21-14-7-9-15(10-8-14)22-19-23-17-6-3-2-5-16(17)18(24-19)20-11-4-12-25/h2-3,5-10,25H,4,11-12H2,1H3,(H,21,26)(H2,20,22,23,24)
InChIKeyQBYQHMBSHRIVBG-UHFFFAOYSA-N
XLogP3.13
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]ethanone;hydrochloride
CID 52996217
4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenol
CID 50945420
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
CID 91963942
N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
methyl 4-[[4-(propylamino)quinazolin-2-yl]amino]benzoate
CID 91966196
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
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
2-[[2-[4-(diethylamino)anilino]quinazolin-4-yl]amino]acetic acid
CID 91963933
3-[[2-(2,4-dimethoxyanilino)quinazolin-4-yl]amino]propan-1-ol;hydrochloride
CID 52995704
2-[[2-(4-methoxycarbonylanilino)quinazolin-4-yl]amino]acetic acid
CID 91963954

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide (CID 50944617) is N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide?
The InChIKey is QBYQHMBSHRIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-13(26)21-14-7-9-15(10-8-14)22-19-23-17-6-3-2-5-16(17)18(24-19)20-11-4-12-25/h2-3,5-10,25H,4,11-12H2,1H3,(H,21,26)(H2,20,22,23,24).
What are the key properties of N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(3-hydroxypropylamino)quinazolin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 50944617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).