N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C21H31N3O3 — CID 171538097

IUPACN-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)(O)C1Nc2ccc(C(=O)NCC3CCCCCCC3)cc2NC1=O
InChIInChI=1S/C21H31N3O3/c1-21(2,27)18-20(26)24-17-12-15(10-11-16(17)23-18)19(25)22-13-14-8-6-4-3-5-7-9-14/h10-12,14,18,23,27H,3-9,13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyAVDUCGCIQZHSIK-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.28
Rot. Bonds4

About N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 171538097) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID171538097
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESCC(C)(O)C1Nc2ccc(C(=O)NCC3CCCCCCC3)cc2NC1=O
InChIInChI=1S/C21H31N3O3/c1-21(2,27)18-20(26)24-17-12-15(10-11-16(17)23-18)19(25)22-13-14-8-6-4-3-5-7-9-14/h10-12,14,18,23,27H,3-9,13H2,1-2H3,(H,22,25)(H,24,26)
InChIKeyAVDUCGCIQZHSIK-UHFFFAOYSA-N
XLogP3.28
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 171538097) is N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is CC(C)(O)C1Nc2ccc(C(=O)NCC3CCCCCCC3)cc2NC1=O.
What is the InChIKey of N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is AVDUCGCIQZHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-21(2,27)18-20(26)24-17-12-15(10-11-16(17)23-18)19(25)22-13-14-8-6-4-3-5-7-9-14/h10-12,14,18,23,27H,3-9,13H2,1-2H3,(H,22,25)(H,24,26).
What are the key properties of N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.28, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclooctylmethyl)-2-(2-hydroxypropan-2-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 171538097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).