N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide

C16H18ClN3O — CID 102604953

IUPACN-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3nc2Cl)CCCCC1
InChIInChI=1S/C16H18ClN3O/c1-16(9-5-2-6-10-16)15(21)20-14-13(17)18-11-7-3-4-8-12(11)19-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,19,20,21)
InChIKeyYEZRWVJBHIBPSQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.19
Rot. Bonds2

About N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide

N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 102604953) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID102604953
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3nc2Cl)CCCCC1
InChIInChI=1S/C16H18ClN3O/c1-16(9-5-2-6-10-16)15(21)20-14-13(17)18-11-7-3-4-8-12(11)19-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,19,20,21)
InChIKeyYEZRWVJBHIBPSQ-UHFFFAOYSA-N
XLogP4.19
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide (CID 102604953) is N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide is CC1(C(=O)Nc2nc3ccccc3nc2Cl)CCCCC1.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is YEZRWVJBHIBPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(9-5-2-6-10-16)15(21)20-14-13(17)18-11-7-3-4-8-12(11)19-14/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,19,20,21).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 102604953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).