3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one

C21H19ClN6O2 — CID 144824068

IUPAC3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1nccnc1N
InChIInChI=1S/C16H13ClN2O.C5H6N4O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;6-4-3(5(7)10)8-1-2-9-4/h3-10H,2H2,1H3;1-2H,(H2,6,9)(H2,7,10)
InChIKeyPBJWZZHFKBGICB-UHFFFAOYSA-N
MW422.88 g/mol
LogP2.76
Rot. Bonds3

About 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one

3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one (PubChem CID 144824068) has the molecular formula C21H19ClN6O2 and a molecular weight of 422.88 g/mol. Its IUPAC name is 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
PubChem CID144824068
Molecular FormulaC21H19ClN6O2
Molecular Weight422.88 g/mol
Exact Mass422.13
IUPAC Name3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
SMILESCCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1nccnc1N
InChIInChI=1S/C16H13ClN2O.C5H6N4O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;6-4-3(5(7)10)8-1-2-9-4/h3-10H,2H2,1H3;1-2H,(H2,6,9)(H2,7,10)
InChIKeyPBJWZZHFKBGICB-UHFFFAOYSA-N
XLogP2.76
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one
CID 144824495
2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one
CID 145017894
3-aminopyrazine-2-carboxamide;N-[4-(2-ethyl-4-oxo-3-phenylquinazolin-5-yl)but-3-ynyl]prop-2-enamide
CID 144926830
4-amino-6-methylpyridine-3-carbonitrile;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144954490
5-chloro-2-ethyl-3-phenylquinazolin-4-one;4-(2,4-diaminopyrimidin-5-yl)-2-fluorophenol
CID 144954554
7-aminopyrazolo[1,5-a][1,3,5]triazine-8-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
CID 145415730
2-aminopyrazolo[1,5-d][1,2,4]triazine-3-carboxamide;2-ethyl-5-methyl-3-phenylquinazolin-4-one
CID 145415673
7-aminopyrazolo[1,5-b][1,2,4]triazine-8-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415648
3-aminopyrazine-2-carboxamide;N-[3-(3-ethyl-1-oxo-2-phenylisoquinolin-8-yl)prop-2-ynyl]methanesulfonamide
CID 144926665
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
2-(1-aminopropyl)-5-chloro-3-phenylquinazolin-4-one;hydrochloride
CID 155191424

Frequently Asked Questions

What is the IUPAC name of 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The IUPAC name of 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one (CID 144824068) is 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The canonical SMILES for 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one is CCc1nc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1nccnc1N.
What is the InChIKey of 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
The InChIKey is PBJWZZHFKBGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O.C5H6N4O/c1-2-14-18-13-10-6-9-12(17)15(13)16(20)19(14)11-7-4-3-5-8-11;6-4-3(5(7)10)8-1-2-9-4/h3-10H,2H2,1H3;1-2H,(H2,6,9)(H2,7,10).
What are the key properties of 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one?
3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one has a molecular weight of 422.88 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 144824068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).