(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone

C18H26N4O2 — CID 170439456

IUPAC(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESNC1CCN(C(=O)N2CCN(C3CCOCC3)c3ccccc32)C1
InChIInChI=1S/C18H26N4O2/c19-14-5-8-20(13-14)18(23)22-10-9-21(15-6-11-24-12-7-15)16-3-1-2-4-17(16)22/h1-4,14-15H,5-13,19H2
InChIKeyGZVHXNDKQPAYHH-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.64
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone

(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone (PubChem CID 170439456) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone
PubChem CID170439456
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone
SMILESNC1CCN(C(=O)N2CCN(C3CCOCC3)c3ccccc32)C1
InChIInChI=1S/C18H26N4O2/c19-14-5-8-20(13-14)18(23)22-10-9-21(15-6-11-24-12-7-15)16-3-1-2-4-17(16)22/h1-4,14-15H,5-13,19H2
InChIKeyGZVHXNDKQPAYHH-UHFFFAOYSA-N
XLogP1.64
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
CID 170439418
1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline
CID 175966140
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(3,5-difluoro-4-morpholin-4-ylphenyl)methanone
CID 138039108
1-[4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)piperidin-1-yl]ethanone
CID 110742540
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
2,3-dihydro-1,4-benzoxazin-4-yl-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 140539199
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
[(3R)-3-aminopyrrolidin-1-yl]-(2,6-difluorophenyl)methanone;hydrochloride
CID 119409169
[(3R,6S)-6-amino-1-(oxan-4-yl)azepan-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 165422291
(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylethanone
CID 124593426
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone
CID 124574483
(3-aminopyrrolidin-1-yl)-(2-phenyloxan-3-yl)methanone
CID 62068728

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone (CID 170439456) is (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone is NC1CCN(C(=O)N2CCN(C3CCOCC3)c3ccccc32)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone?
The InChIKey is GZVHXNDKQPAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c19-14-5-8-20(13-14)18(23)22-10-9-21(15-6-11-24-12-7-15)16-3-1-2-4-17(16)22/h1-4,14-15H,5-13,19H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone?
(3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone has a molecular weight of 330.43 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[4-(oxan-4-yl)-2,3-dihydroquinoxalin-1-yl]methanone is sourced from PubChem (CID 170439456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).