2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one

C13H17N3O — CID 136877593

IUPAC2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
SMILESCCN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O/c1-4-16(3)9(2)12-14-11-8-6-5-7-10(11)13(17)15-12/h5-9H,4H2,1-3H3,(H,14,15,17)/t9-/m1/s1
InChIKeySSGZIKVMFCQWQR-SECBINFHSA-N
MW231.30 g/mol
LogP1.94
Rot. Bonds3

About 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one

2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one (PubChem CID 136877593) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
PubChem CID136877593
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
SMILESCCN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H17N3O/c1-4-16(3)9(2)12-14-11-8-6-5-7-10(11)13(17)15-12/h5-9H,4H2,1-3H3,(H,14,15,17)/t9-/m1/s1
InChIKeySSGZIKVMFCQWQR-SECBINFHSA-N
XLogP1.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135854712
2-[(1R)-1-[methyl-[(1S)-1-phenylethyl]amino]ethyl]-3H-quinazolin-4-one
CID 136794259
N,N-dimethyl-2-[methyl-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]acetamide
CID 135729584
2-[(1R)-1-[methyl-[(2-methylphenyl)methyl]amino]ethyl]-3H-quinazolin-4-one
CID 135808748
2-[1-[(2-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135899716
2-[(1R)-1-[(2-chlorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135830376
2-[(1R)-1-[(4-methoxyphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808076
2-[(1S)-1-[methyl(3-phenoxypropyl)amino]ethyl]-3H-quinazolin-4-one
CID 135948668
2-[(1S)-1-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135808725
2-[methyl-[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]amino]-N-propylacetamide
CID 135809027
2-[(1S)-1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 135811803
2-[1-[(3-fluorophenyl)methyl-methylamino]ethyl]-3H-quinazolin-4-one
CID 136952627

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one (CID 136877593) is 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one is CCN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one?
The InChIKey is SSGZIKVMFCQWQR-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-16(3)9(2)12-14-11-8-6-5-7-10(11)13(17)15-12/h5-9H,4H2,1-3H3,(H,14,15,17)/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one?
2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one has a molecular weight of 231.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136877593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).