2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one

C22H18ClN5O2 — CID 145017894

IUPAC2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one
SMILESC[C@H](CC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H18ClN5O2/c1-13(12-17(29)19-20(24)26-11-10-25-19)21-27-16-9-5-8-15(23)18(16)22(30)28(21)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H2,24,26)/t13-/m1/s1
InChIKeyWUODXDASKRPSFR-CYBMUJFWSA-N
MW419.87 g/mol
LogP3.79
Rot. Bonds5

About 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one

2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one (PubChem CID 145017894) has the molecular formula C22H18ClN5O2 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one
PubChem CID145017894
Molecular FormulaC22H18ClN5O2
Molecular Weight419.87 g/mol
Exact Mass419.11
IUPAC Name2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one
SMILESC[C@H](CC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1
InChIInChI=1S/C22H18ClN5O2/c1-13(12-17(29)19-20(24)26-11-10-25-19)21-27-16-9-5-8-15(23)18(16)22(30)28(21)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H2,24,26)/t13-/m1/s1
InChIKeyWUODXDASKRPSFR-CYBMUJFWSA-N
XLogP3.79
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one with MolForge

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Related Compounds

3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824068
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424
3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide
CID 118573646
tert-butyl-[(1R)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)-2-methylpropyl]carbamic acid
CID 166666957
5-chloro-2-[(1S)-1-[(2,6-diamino-5-fluoropyrimidin-4-yl)amino]ethyl]-3-phenylquinazolin-4-one
CID 90235769
(2S)-N-[(1S)-1-(5-chloro-4-oxo-3-phenylquinazolin-2-yl)ethyl]-2-methoxy-2-phenylacetamide
CID 142740117
2-[(1S)-1-[[5-[2-(3-acetyl-2-pyridinyl)ethynyl]-6-aminopyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 90232962
5-chloro-2-(1-hydroxyethyl)-3-pyridin-3-ylquinazolin-4-one
CID 155453997
5-chloro-2-[(1R)-1-hydroxyethyl]-3-pyridin-3-ylquinazolin-4-one
CID 155453969
2-[1-[[5-[2-(6-acetyl-2-pyridinyl)ethynyl]-6-aminopyrimidin-4-yl]amino]ethyl]-5-chloro-3-phenylquinazolin-4-one
CID 90232629
3-amino-N-[(1R)-1-[5-[2-(1-methylpyrazol-4-yl)ethynyl]-4-oxo-3-phenylquinazolin-2-yl]ethyl]pyrazine-2-carboxamide
CID 118004265
[(1S)-1-[3-(5-amino-3-pyridinyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]carbamic acid
CID 141422293

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one (CID 145017894) is 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one is C[C@H](CC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one?
The InChIKey is WUODXDASKRPSFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18ClN5O2/c1-13(12-17(29)19-20(24)26-11-10-25-19)21-27-16-9-5-8-15(23)18(16)22(30)28(21)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H2,24,26)/t13-/m1/s1.
What are the key properties of 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one?
2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one has a molecular weight of 419.87 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one is sourced from PubChem (CID 145017894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).