2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one

C19H21N3O2 — CID 137303959

IUPAC2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
SMILESCC(NC(C)C(O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H21N3O2/c1-12(17(23)14-8-4-3-5-9-14)20-13(2)18-21-16-11-7-6-10-15(16)19(24)22-18/h3-13,17,20,23H,1-2H3,(H,21,22,24)
InChIKeyZPHQHOHYXXUBJZ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.70
Rot. Bonds5

About 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one

2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one (PubChem CID 137303959) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
PubChem CID137303959
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
SMILESCC(NC(C)C(O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C19H21N3O2/c1-12(17(23)14-8-4-3-5-9-14)20-13(2)18-21-16-11-7-6-10-15(16)19(24)22-18/h3-13,17,20,23H,1-2H3,(H,21,22,24)
InChIKeyZPHQHOHYXXUBJZ-UHFFFAOYSA-N
XLogP2.70
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-1-[[(S)-(4-methylphenyl)-phenylmethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809538
2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
2-[(1R)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809073
2-[(1S)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751377
2-[(1R)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751381
2-[(1S)-1-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 135722505
2-[(1S)-1-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 137048430
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1R)-1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767554
2-[(1R)-1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767552
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1R)-1-phenylethyl]azanium
CID 135612855

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one (CID 137303959) is 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one is CC(NC(C)C(O)c1ccccc1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is ZPHQHOHYXXUBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12(17(23)14-8-4-3-5-9-14)20-13(2)18-21-16-11-7-6-10-15(16)19(24)22-18/h3-13,17,20,23H,1-2H3,(H,21,22,24).
What are the key properties of 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one?
2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 137303959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).