3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide

C19H14N6O2 — CID 137425221

IUPAC3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H14N6O2/c20-16-15(21-9-10-22-16)19(27)23-12-7-5-11(6-8-12)17-24-14-4-2-1-3-13(14)18(26)25-17/h1-10H,(H2,20,22)(H,23,27)(H,24,25,26)
InChIKeyYGXSGIAVXFHGMR-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.21
Rot. Bonds3

About 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide

3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 137425221) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide
PubChem CID137425221
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Name3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C19H14N6O2/c20-16-15(21-9-10-22-16)19(27)23-12-7-5-11(6-8-12)17-24-14-4-2-1-3-13(14)18(26)25-17/h1-10H,(H2,20,22)(H,23,27)(H,24,25,26)
InChIKeyYGXSGIAVXFHGMR-UHFFFAOYSA-N
XLogP2.21
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4855019
(2R)-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]-2-phenylbutanamide
CID 136847891
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 167818077
methyl 4-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 135476431
4-oxo-N-phenyl-3H-quinazoline-2-carboxamide
CID 135794299
2-(4-bromophenyl)-3H-quinazolin-4-one
CID 135421564
N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155558818
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
N-[3-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 137125323
3-amino-N-[3-(4,5-dimethyl-1H-imidazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 75369727

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide (CID 137425221) is 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is YGXSGIAVXFHGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c20-16-15(21-9-10-22-16)19(27)23-12-7-5-11(6-8-12)17-24-14-4-2-1-3-13(14)18(26)25-17/h1-10H,(H2,20,22)(H,23,27)(H,24,25,26).
What are the key properties of 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide?
3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 358.36 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 137425221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).