3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide

C27H19N7O2 — CID 154658260

IUPAC3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C27H19N7O2/c28-25-24(26(35)32-15-19-5-1-4-16-6-2-11-30-21(16)19)33-22(23(34-25)27-31-12-13-36-27)18-8-9-20-17(14-18)7-3-10-29-20/h1-14H,15H2,(H2,28,34)(H,32,35)
InChIKeyKFGQRFQBVFSENE-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.41
Rot. Bonds5

About 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide

3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide (PubChem CID 154658260) has the molecular formula C27H19N7O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
PubChem CID154658260
Molecular FormulaC27H19N7O2
Molecular Weight473.50 g/mol
Exact Mass473.16
IUPAC Name3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide
SMILESNc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C27H19N7O2/c28-25-24(26(35)32-15-19-5-1-4-16-6-2-11-30-21(16)19)33-22(23(34-25)27-31-12-13-36-27)18-8-9-20-17(14-18)7-3-10-29-20/h1-14H,15H2,(H2,28,34)(H,32,35)
InChIKeyKFGQRFQBVFSENE-UHFFFAOYSA-N
XLogP4.41
TPSA132.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[(3-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658075
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604677
3-amino-N-[2-(azetidin-1-yl)-2-oxoethyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657796
3-amino-N-[(4-hydroxycycloheptyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657789
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-[(2,6-difluorophenyl)methyl]-6-(2-methyl-4-pyridinyl)-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 155209351
3-amino-5-(1-methylpyrazol-3-yl)-N-[(3-methyl-4-pyridinyl)methyl]-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604553
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
3-amino-N-(isoquinolin-3-ylmethyl)-5-(1-methylpyrazol-3-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154657882
3-amino-N-[[5-(methanesulfonamido)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 155003048
3-amino-N-[[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]methyl]-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658025
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 121351359

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide (CID 154658260) is 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide is Nc1nc(-c2ncco2)c(-c2ccc3ncccc3c2)nc1C(=O)NCc1cccc2cccnc12.
What is the InChIKey of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is KFGQRFQBVFSENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N7O2/c28-25-24(26(35)32-15-19-5-1-4-16-6-2-11-30-21(16)19)33-22(23(34-25)27-31-12-13-36-27)18-8-9-20-17(14-18)7-3-10-29-20/h1-14H,15H2,(H2,28,34)(H,32,35).
What are the key properties of 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide?
3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1,3-oxazol-2-yl)-6-quinolin-6-yl-N-(quinolin-8-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 154658260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).