N-quinolin-8-ylpyrazine-2-carboxamide

C42H30N12O3 — CID 139088852

IUPACN-quinolin-8-ylpyrazine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cnccn1.O=C(Nc1cccc2cccnc12)c1cnccn1.O=C(Nc1cccc2cccnc12)c1cnccn1
InChIInChI=1S/3C14H10N4O/c3*19-14(12-9-15-7-8-16-12)18-11-5-1-3-10-4-2-6-17-13(10)11/h3*1-9H,(H,18,19)
InChIKeyACITZFMIROYGSV-UHFFFAOYSA-N
MW750.78 g/mol
LogP6.83
Rot. Bonds6

About N-quinolin-8-ylpyrazine-2-carboxamide

N-quinolin-8-ylpyrazine-2-carboxamide (PubChem CID 139088852) has the molecular formula C42H30N12O3 and a molecular weight of 750.78 g/mol. Its IUPAC name is N-quinolin-8-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-quinolin-8-ylpyrazine-2-carboxamide
PubChem CID139088852
Molecular FormulaC42H30N12O3
Molecular Weight750.78 g/mol
Exact Mass750.26
IUPAC NameN-quinolin-8-ylpyrazine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1cnccn1.O=C(Nc1cccc2cccnc12)c1cnccn1.O=C(Nc1cccc2cccnc12)c1cnccn1
InChIInChI=1S/3C14H10N4O/c3*19-14(12-9-15-7-8-16-12)18-11-5-1-3-10-4-2-6-17-13(10)11/h3*1-9H,(H,18,19)
InChIKeyACITZFMIROYGSV-UHFFFAOYSA-N
XLogP6.83
TPSA203.31 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500750.78
LogP ≤ 56.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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Related Compounds

6-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103186933
5-chloro-N-quinolin-8-ylpyrazine-2-carboxamide
CID 103817057
6-chloro-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235243
5-(methylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 104639694
N-(2-sulfanylphenyl)pyrazine-2-carboxamide
CID 136757506
4-hydrazinyl-N-quinolin-8-ylpyridine-2-carboxamide
CID 62235747
N-(1-methylbenzimidazol-4-yl)pyrazine-2-carboxamide
CID 175533892
5-(2-methylpropylamino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109273088
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298
[3-[8-(pyrazine-2-carbonylamino)quinolin-2-yl]phenyl] hypofluorite
CID 121354207
5-(2-methylpropylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109181365

Frequently Asked Questions

What is the IUPAC name of N-quinolin-8-ylpyrazine-2-carboxamide?
The IUPAC name of N-quinolin-8-ylpyrazine-2-carboxamide (CID 139088852) is N-quinolin-8-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-quinolin-8-ylpyrazine-2-carboxamide?
The canonical SMILES for N-quinolin-8-ylpyrazine-2-carboxamide is O=C(Nc1cccc2cccnc12)c1cnccn1.O=C(Nc1cccc2cccnc12)c1cnccn1.O=C(Nc1cccc2cccnc12)c1cnccn1.
What is the InChIKey of N-quinolin-8-ylpyrazine-2-carboxamide?
The InChIKey is ACITZFMIROYGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H10N4O/c3*19-14(12-9-15-7-8-16-12)18-11-5-1-3-10-4-2-6-17-13(10)11/h3*1-9H,(H,18,19).
What are the key properties of N-quinolin-8-ylpyrazine-2-carboxamide?
N-quinolin-8-ylpyrazine-2-carboxamide has a molecular weight of 750.78 g/mol, XLogP of 6.83, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-8-ylpyrazine-2-carboxamide is sourced from PubChem (CID 139088852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).