2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol

C17H29N3O — CID 64789196

IUPAC2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN1CCN(C)c2ccccc21
InChIInChI=1S/C17H29N3O/c1-14(2)18-17(3,13-21)9-10-20-12-11-19(4)15-7-5-6-8-16(15)20/h5-8,14,18,21H,9-13H2,1-4H3
InChIKeyGRKJRYBSRCSARB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.08
Rot. Bonds6

About 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol

2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64789196) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64789196
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C)(CO)CCN1CCN(C)c2ccccc21
InChIInChI=1S/C17H29N3O/c1-14(2)18-17(3,13-21)9-10-20-12-11-19(4)15-7-5-6-8-16(15)20/h5-8,14,18,21H,9-13H2,1-4H3
InChIKeyGRKJRYBSRCSARB-UHFFFAOYSA-N
XLogP2.08
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol (CID 64789196) is 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C)(CO)CCN1CCN(C)c2ccccc21.
What is the InChIKey of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is GRKJRYBSRCSARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)18-17(3,13-21)9-10-20-12-11-19(4)15-7-5-6-8-16(15)20/h5-8,14,18,21H,9-13H2,1-4H3.
What are the key properties of 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol?
2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64789196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).