N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide

C25H23N5O — CID 70853008

IUPACN-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cnccn1)c1ccc2cccc(-c3cccc(CN4CCCC4)c3)c2n1
InChIInChI=1S/C25H23N5O/c31-25(29-23-16-26-11-12-27-23)22-10-9-19-6-4-8-21(24(19)28-22)20-7-3-5-18(15-20)17-30-13-1-2-14-30/h3-12,15-16H,1-2,13-14,17H2,(H,27,29,31)
InChIKeyPUAHIYVOPJZXDO-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.54
Rot. Bonds5

About N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide

N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide (PubChem CID 70853008) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide
PubChem CID70853008
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC NameN-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cnccn1)c1ccc2cccc(-c3cccc(CN4CCCC4)c3)c2n1
InChIInChI=1S/C25H23N5O/c31-25(29-23-16-26-11-12-27-23)22-10-9-19-6-4-8-21(24(19)28-22)20-7-3-5-18(15-20)17-30-13-1-2-14-30/h3-12,15-16H,1-2,13-14,17H2,(H,27,29,31)
InChIKeyPUAHIYVOPJZXDO-UHFFFAOYSA-N
XLogP4.54
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[3-(difluoromethoxy)phenyl]-N-[2-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]quinoline-2-carboxamide
CID 70853145
N-[4-(pyrrolidin-1-ylmethyl)phenyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70853124
8-[4-(morpholin-4-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 89034067
8-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 87282886
8-[3-(difluoromethyl)phenyl]-N-pyrimidin-4-ylquinoline-2-carboxamide
CID 70852962
2-pyridin-3-yl-N-[6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154715
N-[6-(2,3-dihydroxypropoxy)pyrazin-2-yl]-8-[3-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 70853158
2-phenyl-N-pyrazin-2-ylquinoline-8-carboxamide
CID 44555104
N-pyridin-3-yl-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
CID 70852951
2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
2-[3-(difluoromethyl)phenyl]-N-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-8-carboxamide
CID 58154754
N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889315

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide (CID 70853008) is N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide is O=C(Nc1cnccn1)c1ccc2cccc(-c3cccc(CN4CCCC4)c3)c2n1.
What is the InChIKey of N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide?
The InChIKey is PUAHIYVOPJZXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-25(29-23-16-26-11-12-27-23)22-10-9-19-6-4-8-21(24(19)28-22)20-7-3-5-18(15-20)17-30-13-1-2-14-30/h3-12,15-16H,1-2,13-14,17H2,(H,27,29,31).
What are the key properties of N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide?
N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-8-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 70853008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).