N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide

C18H17N5O2 — CID 138024799

IUPACN-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1cnc2ccccc2n1
InChIInChI=1S/C18H17N5O2/c24-16(15-12-21-13-4-1-2-5-14(13)22-15)23-18(6-10-25-11-7-18)17-19-8-3-9-20-17/h1-5,8-9,12H,6-7,10-11H2,(H,23,24)
InChIKeyGHFDPQONALOKSM-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.86
Rot. Bonds3

About N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide

N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide (PubChem CID 138024799) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide
PubChem CID138024799
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1cnc2ccccc2n1
InChIInChI=1S/C18H17N5O2/c24-16(15-12-21-13-4-1-2-5-14(13)22-15)23-18(6-10-25-11-7-18)17-19-8-3-9-20-17/h1-5,8-9,12H,6-7,10-11H2,(H,23,24)
InChIKeyGHFDPQONALOKSM-UHFFFAOYSA-N
XLogP1.86
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(quinoxaline-2-carbonylamino)oxan-4-yl]acetic acid
CID 119214947
5-methyl-N-(4-pyrimidin-2-yloxan-4-yl)-1,2-oxazole-3-carboxamide
CID 138024785
N-(4-pyrimidin-2-yloxan-4-yl)furan-3-carboxamide
CID 138024801
6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide
CID 138024815
5-cyclopropyl-1-methyl-N-(4-pyrimidin-2-yloxan-4-yl)pyrazole-3-carboxamide
CID 136566735
(3S)-3-(quinoxaline-2-carbonylamino)thiolane-3-carboxylic acid
CID 129366515
N-(4-pyrimidin-2-yloxan-4-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 138024810
N-[(R)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]quinoxaline-2-carboxamide
CID 129487226
N-[3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 3494740
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-2-carboxamide
CID 90633350
N-(2-methylpropyl)quinoxaline-2-carboxamide
CID 32978197

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide (CID 138024799) is N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide is O=C(NC1(c2ncccn2)CCOCC1)c1cnc2ccccc2n1.
What is the InChIKey of N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide?
The InChIKey is GHFDPQONALOKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c24-16(15-12-21-13-4-1-2-5-14(13)22-15)23-18(6-10-25-11-7-18)17-19-8-3-9-20-17/h1-5,8-9,12H,6-7,10-11H2,(H,23,24).
What are the key properties of N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide?
N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxan-4-yl)quinoxaline-2-carboxamide is sourced from PubChem (CID 138024799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).