4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide

C21H28N4O4 — CID 155281627

IUPAC4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C21H28N4O4/c1-21(27)7-9-25(10-8-21)20(26)24-17-13-22-18-15(14-5-11-29-12-6-14)3-4-16(28-2)19(18)23-17/h3-4,13-14,27H,5-12H2,1-2H3,(H,23,24,26)
InChIKeyUCXRQQXKGCKCMN-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.91
Rot. Bonds3

About 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide

4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 155281627) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID155281627
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(C2CCOCC2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12
InChIInChI=1S/C21H28N4O4/c1-21(27)7-9-25(10-8-21)20(26)24-17-13-22-18-15(14-5-11-29-12-6-14)3-4-16(28-2)19(18)23-17/h3-4,13-14,27H,5-12H2,1-2H3,(H,23,24,26)
InChIKeyUCXRQQXKGCKCMN-UHFFFAOYSA-N
XLogP2.91
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide with MolForge

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Related Compounds

(E)-3-(6-Acetylamino-pyridin-3-yl)-N-({[2,4-dimethyl-3-(3-methyl-quinoxalin-5-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-acrylamide
CID 10530740
2-(1-(5-Methoxyquinoxalin-2-yl)piperazine-4-carboxamido)benzoic acid
CID 16048919
1-[(2,6-Dimethoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 52948333
1-[(3,6-Dimethoxyquinoxalin-2-yl)aminocarbonyl]-4-(3,5-dimethylphenyl)piperazine
CID 57401424
4-hydroxy-N-(5-methoxy-8-phenylpyrido[3,4-b]pyrazin-3-yl)-4-methylpiperidine-1-carboxamide
CID 137519042
4-hydroxy-N-(8-methoxy-5-phenylquinoxalin-2-yl)-4-methylpiperidine-1-carboxamide
CID 137532637
N-(3,5-dimethoxyquinoxalin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 57392727
1-(2-methoxyethyl)-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]pyrazole-4-carboxamide
CID 137519038
2-(1-(8-Methoxyquinoxalin-2-yl)piperazine-4-carboxamido)benzoic acid
CID 16048917
1-Methyl-1-[7-[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]quinoxalin-2-yl]-3-propan-2-ylurea
CID 172452536
1-[7-[6-[1-(Dimethylamino)propan-2-yloxy]-3-pyridinyl]quinoxalin-2-yl]-1-methyl-3-propan-2-ylurea
CID 172452733
1-Methyl-1-[7-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyridinyl]quinoxalin-2-yl]-3-propan-2-ylurea
CID 172454417

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide (CID 155281627) is 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide is COc1ccc(C2CCOCC2)c2ncc(NC(=O)N3CCC(C)(O)CC3)nc12.
What is the InChIKey of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is UCXRQQXKGCKCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-21(27)7-9-25(10-8-21)20(26)24-17-13-22-18-15(14-5-11-29-12-6-14)3-4-16(28-2)19(18)23-17/h3-4,13-14,27H,5-12H2,1-2H3,(H,23,24,26).
What are the key properties of 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide?
4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[8-methoxy-5-(oxan-4-yl)quinoxalin-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 155281627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).