N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide

C18H15N7O2 — CID 58552888

IUPACN-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide
SMILESCn1cnc(-c2nc3c(NC(=O)c4cnccn4)cccc3c(=O)n2C)c1
InChIInChI=1S/C18H15N7O2/c1-24-9-14(21-10-24)16-23-15-11(18(27)25(16)2)4-3-5-12(15)22-17(26)13-8-19-6-7-20-13/h3-10H,1-2H3,(H,22,26)
InChIKeyNPLMZOWLTUVOJO-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.38
Rot. Bonds3

About N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide

N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide (PubChem CID 58552888) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide
PubChem CID58552888
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC NameN-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide
SMILESCn1cnc(-c2nc3c(NC(=O)c4cnccn4)cccc3c(=O)n2C)c1
InChIInChI=1S/C18H15N7O2/c1-24-9-14(21-10-24)16-23-15-11(18(27)25(16)2)4-3-5-12(15)22-17(26)13-8-19-6-7-20-13/h3-10H,1-2H3,(H,22,26)
InChIKeyNPLMZOWLTUVOJO-UHFFFAOYSA-N
XLogP1.38
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide (CID 58552888) is N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide is Cn1cnc(-c2nc3c(NC(=O)c4cnccn4)cccc3c(=O)n2C)c1.
What is the InChIKey of N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide?
The InChIKey is NPLMZOWLTUVOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c1-24-9-14(21-10-24)16-23-15-11(18(27)25(16)2)4-3-5-12(15)22-17(26)13-8-19-6-7-20-13/h3-10H,1-2H3,(H,22,26).
What are the key properties of N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide?
N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(1-methylimidazol-4-yl)-4-oxoquinazolin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58552888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).