N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide

C24H29N3O3 — CID 91901459

IUPACN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc4c(c3)NC(C)=C(C)N4)CCOCC2)cc1
InChIInChI=1S/C24H29N3O3/c1-16-17(2)27-22-14-18(4-9-21(22)26-16)23(28)25-15-24(10-12-30-13-11-24)19-5-7-20(29-3)8-6-19/h4-9,14,26-27H,10-13,15H2,1-3H3,(H,25,28)
InChIKeyRKIRDSSBMACLKG-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.26
Rot. Bonds5

About N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide (PubChem CID 91901459) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
PubChem CID91901459
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc4c(c3)NC(C)=C(C)N4)CCOCC2)cc1
InChIInChI=1S/C24H29N3O3/c1-16-17(2)27-22-14-18(4-9-21(22)26-16)23(28)25-15-24(10-12-30-13-11-24)19-5-7-20(29-3)8-6-19/h4-9,14,26-27H,10-13,15H2,1-3H3,(H,25,28)
InChIKeyRKIRDSSBMACLKG-UHFFFAOYSA-N
XLogP4.26
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide with MolForge

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Related Compounds

4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1-methylindole-5-carboxamide
CID 71753531
3-(4-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 71707663
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831
5-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 120625700
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71709201
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27449238
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 71753557

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
The IUPAC name of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide (CID 91901459) is N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
The canonical SMILES for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide is COc1ccc(C2(CNC(=O)c3ccc4c(c3)NC(C)=C(C)N4)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
The InChIKey is RKIRDSSBMACLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-17(2)27-22-14-18(4-9-21(22)26-16)23(28)25-15-24(10-12-30-13-11-24)19-5-7-20(29-3)8-6-19/h4-9,14,26-27H,10-13,15H2,1-3H3,(H,25,28).
What are the key properties of N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide?
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 91901459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).