1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline

C18H27N3O — CID 175966140

IUPAC1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline
SMILESCN1CC[C@@H](N2CCN(C3CCOCC3)c3ccccc32)C1
InChIInChI=1S/C18H27N3O/c1-19-9-6-16(14-19)21-11-10-20(15-7-12-22-13-8-15)17-4-2-3-5-18(17)21/h2-5,15-16H,6-14H2,1H3/t16-/m1/s1
InChIKeyNZTDMAQSQQISLX-MRXNPFEDSA-N
MW301.43 g/mol
LogP2.20
Rot. Bonds2

About 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline

1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline (PubChem CID 175966140) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline
PubChem CID175966140
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline
SMILESCN1CC[C@@H](N2CCN(C3CCOCC3)c3ccccc32)C1
InChIInChI=1S/C18H27N3O/c1-19-9-6-16(14-19)21-11-10-20(15-7-12-22-13-8-15)17-4-2-3-5-18(17)21/h2-5,15-16H,6-14H2,1H3/t16-/m1/s1
InChIKeyNZTDMAQSQQISLX-MRXNPFEDSA-N
XLogP2.20
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline (CID 175966140) is 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline is CN1CC[C@@H](N2CCN(C3CCOCC3)c3ccccc32)C1.
What is the InChIKey of 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline?
The InChIKey is NZTDMAQSQQISLX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O/c1-19-9-6-16(14-19)21-11-10-20(15-7-12-22-13-8-15)17-4-2-3-5-18(17)21/h2-5,15-16H,6-14H2,1H3/t16-/m1/s1.
What are the key properties of 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline?
1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline has a molecular weight of 301.43 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-methylpyrrolidin-3-yl]-4-(oxan-4-yl)-2,3-dihydroquinoxaline is sourced from PubChem (CID 175966140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).