N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide

C21H17N5O2 — CID 50834726

IUPACN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cnccn1
InChIInChI=1S/C21H17N5O2/c1-13-11-15(7-8-17(13)25-20(27)19-12-22-9-10-23-19)26-14(2)24-18-6-4-3-5-16(18)21(26)28/h3-12H,1-2H3,(H,25,27)
InChIKeyAIKBIZKLHRQKJV-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.04
Rot. Bonds3

About N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide

N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 50834726) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
PubChem CID50834726
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cnccn1
InChIInChI=1S/C21H17N5O2/c1-13-11-15(7-8-17(13)25-20(27)19-12-22-9-10-23-19)26-14(2)24-18-6-4-3-5-16(18)21(26)28/h3-12H,1-2H3,(H,25,27)
InChIKeyAIKBIZKLHRQKJV-UHFFFAOYSA-N
XLogP3.04
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
CID 50834702
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 43988555
2-chloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077192
3,4,5-trimethoxy-N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988488
3,5-dimethyl-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606887
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
2-bromo-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077195
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
3-methoxy-N-[2-methyl-4-(2-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)phenyl]benzamide
CID 8606787
N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 136762067

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide (CID 50834726) is N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide is Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cnccn1.
What is the InChIKey of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is AIKBIZKLHRQKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-13-11-15(7-8-17(13)25-20(27)19-12-22-9-10-23-19)26-14(2)24-18-6-4-3-5-16(18)21(26)28/h3-12H,1-2H3,(H,25,27).
What are the key properties of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide?
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 50834726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).