4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid

C18H20N4O3 — CID 68734345

IUPAC4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(N3CCOCC3)cn2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c23-18(24)22-8-7-21(15-3-1-2-4-16(15)22)17-6-5-14(13-19-17)20-9-11-25-12-10-20/h1-6,13H,7-12H2,(H,23,24)
InChIKeyDTHZUFCZKJTCMI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.55
Rot. Bonds2

About 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid

4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid (PubChem CID 68734345) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid
PubChem CID68734345
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(N3CCOCC3)cn2)c2ccccc21
InChIInChI=1S/C18H20N4O3/c23-18(24)22-8-7-21(15-3-1-2-4-16(15)22)17-6-5-14(13-19-17)20-9-11-25-12-10-20/h1-6,13H,7-12H2,(H,23,24)
InChIKeyDTHZUFCZKJTCMI-UHFFFAOYSA-N
XLogP2.55
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[4-(oxan-4-yl)piperazin-1-yl]-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68735210
tert-butyl 4-(5-piperazin-1-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 66863782
4-[5-(4-tert-butylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroquinoxaline-1-carboxylic acid
CID 68734107
tert-butyl 4-[5-(4-phenylmethoxycarbonylpiperazin-1-yl)-2-pyridinyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 66863191
4-amino-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168700683
4-(bromomethyl)-1-(5-morpholin-4-yl-2-pyridinyl)pyrrolidin-2-one
CID 168505625
2-(4-morpholin-4-ylbenzoyl)benzoic acid
CID 20536938
4-[5-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]-N-[(1R,3S)-5-carbamoyl-2-adamantyl]-2,3-dihydroquinoxaline-1-carboxamide
CID 66863163
N-[2-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
5-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-2-carboxamide
CID 109184886
morpholin-4-yl-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109276422
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190

Frequently Asked Questions

What is the IUPAC name of 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid?
The IUPAC name of 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid (CID 68734345) is 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid.
What is the SMILES notation for 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid?
The canonical SMILES for 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid is O=C(O)N1CCN(c2ccc(N3CCOCC3)cn2)c2ccccc21.
What is the InChIKey of 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid?
The InChIKey is DTHZUFCZKJTCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(24)22-8-7-21(15-3-1-2-4-16(15)22)17-6-5-14(13-19-17)20-9-11-25-12-10-20/h1-6,13H,7-12H2,(H,23,24).
What are the key properties of 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid?
4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-morpholin-4-yl-2-pyridinyl)-2,3-dihydroquinoxaline-1-carboxylic acid is sourced from PubChem (CID 68734345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).