N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide

C20H20N4O — CID 131906528

IUPACN-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1ccc2nccnc2c1
InChIInChI=1S/C20H20N4O/c25-20(16-6-7-18-19(13-16)22-9-8-21-18)23-17-5-3-4-15(12-17)14-24-10-1-2-11-24/h3-9,12-13H,1-2,10-11,14H2,(H,23,25)
InChIKeyIGKMILGPXHMEQP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.48
Rot. Bonds4

About N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide

N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide (PubChem CID 131906528) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
PubChem CID131906528
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1ccc2nccnc2c1
InChIInChI=1S/C20H20N4O/c25-20(16-6-7-18-19(13-16)22-9-8-21-18)23-17-5-3-4-15(12-17)14-24-10-1-2-11-24/h3-9,12-13H,1-2,10-11,14H2,(H,23,25)
InChIKeyIGKMILGPXHMEQP-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 71893305
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[3-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851171
1,4-dichloro-N-[3-(piperidin-1-ylmethyl)phenyl]phthalazine-6-carboxamide
CID 86620972
N-(6-amino-3-pyridinyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119516230
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 46417031

Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide (CID 131906528) is N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide is O=C(Nc1cccc(CN2CCCC2)c1)c1ccc2nccnc2c1.
What is the InChIKey of N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide?
The InChIKey is IGKMILGPXHMEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(16-6-7-18-19(13-16)22-9-8-21-18)23-17-5-3-4-15(12-17)14-24-10-1-2-11-24/h3-9,12-13H,1-2,10-11,14H2,(H,23,25).
What are the key properties of N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide?
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 131906528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).