N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide

C11H11N3O2 — CID 137132952

IUPACN-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H11N3O2/c1-7(12-6-15)10-13-9-5-3-2-4-8(9)11(16)14-10/h2-7H,1H3,(H,12,15)(H,13,14,16)/t7-/m1/s1
InChIKeyRUVIZBDBTALYPT-SSDOTTSWSA-N
MW217.23 g/mol
LogP0.73
Rot. Bonds3

About N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide

N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide (PubChem CID 137132952) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
PubChem CID137132952
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide
SMILESC[C@@H](NC=O)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C11H11N3O2/c1-7(12-6-15)10-13-9-5-3-2-4-8(9)11(16)14-10/h2-7H,1H3,(H,12,15)(H,13,14,16)/t7-/m1/s1
InChIKeyRUVIZBDBTALYPT-SSDOTTSWSA-N
XLogP0.73
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-[[(2R)-butan-2-yl]amino]ethyl]-3H-quinazolin-4-one
CID 135726942
2-[(1R)-1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135751357
2-[(1S)-1-(2-phenylethylamino)ethyl]-3H-quinazolin-4-one
CID 135737118
2-[(1R)-1-(4-bromoanilino)ethyl]-3H-quinazolin-4-one
CID 135839568
2-[1-[(1-hydroxy-1-phenylpropan-2-yl)amino]ethyl]-3H-quinazolin-4-one
CID 137303959
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
2-[(1S)-1-[[(S)-(4-methylphenyl)-phenylmethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809538
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-[(1R)-1-[ethyl(methyl)amino]ethyl]-3H-quinazolin-4-one
CID 136877593
2-(dimethoxymethyl)-3H-quinazolin-4-one
CID 135453675

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide?
The IUPAC name of N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide (CID 137132952) is N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide?
The canonical SMILES for N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide is C[C@@H](NC=O)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide?
The InChIKey is RUVIZBDBTALYPT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7(12-6-15)10-13-9-5-3-2-4-8(9)11(16)14-10/h2-7H,1H3,(H,12,15)(H,13,14,16)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide?
N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide has a molecular weight of 217.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl]formamide is sourced from PubChem (CID 137132952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).