2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one

C14H19N3O — CID 135800866

IUPAC2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one
SMILESCC[C@@H](NC(C)C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H19N3O/c1-4-11(15-9(2)3)13-16-12-8-6-5-7-10(12)14(18)17-13/h5-9,11,15H,4H2,1-3H3,(H,16,17,18)/t11-/m1/s1
InChIKeySARWGFLZIRMREV-LLVKDONJSA-N
MW245.33 g/mol
LogP2.37
Rot. Bonds4

About 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one

2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one (PubChem CID 135800866) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one
PubChem CID135800866
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one
SMILESCC[C@@H](NC(C)C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C14H19N3O/c1-4-11(15-9(2)3)13-16-12-8-6-5-7-10(12)14(18)17-13/h5-9,11,15H,4H2,1-3H3,(H,16,17,18)/t11-/m1/s1
InChIKeySARWGFLZIRMREV-LLVKDONJSA-N
XLogP2.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
CID 137132952
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
CID 135737118
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675
2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137303959
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1R)-1-phenylethyl]azanium
CID 135612855
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]-[(1S)-1-phenylethyl]azanium
CID 135612853
2-[(1R)-1-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751381
2-[(1R)-1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135767552

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one (CID 135800866) is 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one is CC[C@@H](NC(C)C)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one?
The InChIKey is SARWGFLZIRMREV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O/c1-4-11(15-9(2)3)13-16-12-8-6-5-7-10(12)14(18)17-13/h5-9,11,15H,4H2,1-3H3,(H,16,17,18)/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one?
2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one has a molecular weight of 245.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(propan-2-ylamino)propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135800866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).