N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide

C20H19N5O2 — CID 30460786

IUPACN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C20H19N5O2/c21-19(26)13-7-8-18(25-9-3-4-10-25)16(11-13)24-20(27)17-12-22-14-5-1-2-6-15(14)23-17/h1-2,5-8,11-12H,3-4,9-10H2,(H2,21,26)(H,24,27)
InChIKeyODNJEPNLCUTIHM-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.58
Rot. Bonds4

About N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide (PubChem CID 30460786) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
PubChem CID30460786
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
SMILESNC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C20H19N5O2/c21-19(26)13-7-8-18(25-9-3-4-10-25)16(11-13)24-20(27)17-12-22-14-5-1-2-6-15(14)23-17/h1-2,5-8,11-12H,3-4,9-10H2,(H2,21,26)(H,24,27)
InChIKeyODNJEPNLCUTIHM-UHFFFAOYSA-N
XLogP2.58
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
CID 88852610
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 167978877
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 24632177
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 24653936
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2-oxo-1H-quinoline-3-carboxamide
CID 25384816
N-(5-carbamoyl-2-piperidin-1-ylphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 24675937
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269601
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
N-[2-(piperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 17420584
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide (CID 30460786) is N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide is NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
The InChIKey is ODNJEPNLCUTIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c21-19(26)13-7-8-18(25-9-3-4-10-25)16(11-13)24-20(27)17-12-22-14-5-1-2-6-15(14)23-17/h1-2,5-8,11-12H,3-4,9-10H2,(H2,21,26)(H,24,27).
What are the key properties of N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide?
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide is sourced from PubChem (CID 30460786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).