7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide

C21H15ClN4O — CID 173087421

IUPAC7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccc(Cc3nccnc3Cl)cc2nc1-c1ccccc1
InChIInChI=1S/C21H15ClN4O/c22-20-18(24-8-9-25-20)11-13-6-7-15-12-16(21(23)27)19(26-17(15)10-13)14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,23,27)
InChIKeyPLYPCRJEXLMVSJ-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.03
Rot. Bonds4

About 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide

7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide (PubChem CID 173087421) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide.

Molecular Properties

Compound Name7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide
PubChem CID173087421
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide
SMILESNC(=O)c1cc2ccc(Cc3nccnc3Cl)cc2nc1-c1ccccc1
InChIInChI=1S/C21H15ClN4O/c22-20-18(24-8-9-25-20)11-13-6-7-15-12-16(21(23)27)19(26-17(15)10-13)14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,23,27)
InChIKeyPLYPCRJEXLMVSJ-UHFFFAOYSA-N
XLogP4.03
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide?
The IUPAC name of 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide (CID 173087421) is 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide.
What is the SMILES notation for 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide?
The canonical SMILES for 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide is NC(=O)c1cc2ccc(Cc3nccnc3Cl)cc2nc1-c1ccccc1.
What is the InChIKey of 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide?
The InChIKey is PLYPCRJEXLMVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-20-18(24-8-9-25-20)11-13-6-7-15-12-16(21(23)27)19(26-17(15)10-13)14-4-2-1-3-5-14/h1-10,12H,11H2,(H2,23,27).
What are the key properties of 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide?
7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide has a molecular weight of 374.83 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-chloropyrazin-2-yl)methyl]-2-phenylquinoline-3-carboxamide is sourced from PubChem (CID 173087421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).