N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide

C21H26N4O2 — CID 170439357

IUPACN-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CCN(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c26-21(23-15-17-8-13-27-14-9-17)25-12-11-24(16-18-5-3-4-10-22-18)19-6-1-2-7-20(19)25/h1-7,10,17H,8-9,11-16H2,(H,23,26)
InChIKeyWQPACXLNSPJHCD-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.04
Rot. Bonds4

About N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide

N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide (PubChem CID 170439357) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
PubChem CID170439357
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide
SMILESO=C(NCC1CCOCC1)N1CCN(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C21H26N4O2/c26-21(23-15-17-8-13-27-14-9-17)25-12-11-24(16-18-5-3-4-10-22-18)19-6-1-2-7-20(19)25/h1-7,10,17H,8-9,11-16H2,(H,23,26)
InChIKeyWQPACXLNSPJHCD-UHFFFAOYSA-N
XLogP3.04
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The IUPAC name of N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide (CID 170439357) is N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide is O=C(NCC1CCOCC1)N1CCN(Cc2ccccn2)c2ccccc21.
What is the InChIKey of N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
The InChIKey is WQPACXLNSPJHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(23-15-17-8-13-27-14-9-17)25-12-11-24(16-18-5-3-4-10-22-18)19-6-1-2-7-20(19)25/h1-7,10,17H,8-9,11-16H2,(H,23,26).
What are the key properties of N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide?
N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-4-(pyridin-2-ylmethyl)-2,3-dihydroquinoxaline-1-carboxamide is sourced from PubChem (CID 170439357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).