1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol

C22H30N2O2 — CID 44589133

IUPAC1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1
InChIInChI=1S/C22H30N2O2/c1-17(2)23-14-20(25)16-26-21-10-11-22-19(13-21)9-6-12-24(22)15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,17,20,23,25H,6,9,12,14-16H2,1-2H3
InChIKeyJUVWASPQEPNQTK-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.38
Rot. Bonds8

About 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol

1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 44589133) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID44589133
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1
InChIInChI=1S/C22H30N2O2/c1-17(2)23-14-20(25)16-26-21-10-11-22-19(13-21)9-6-12-24(22)15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,17,20,23,25H,6,9,12,14-16H2,1-2H3
InChIKeyJUVWASPQEPNQTK-UHFFFAOYSA-N
XLogP3.38
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol (CID 44589133) is 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccc2c(c1)CCCN2Cc1ccccc1.
What is the InChIKey of 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is JUVWASPQEPNQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-17(2)23-14-20(25)16-26-21-10-11-22-19(13-21)9-6-12-24(22)15-18-7-4-3-5-8-18/h3-5,7-8,10-11,13,17,20,23,25H,6,9,12,14-16H2,1-2H3.
What are the key properties of 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol?
1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 354.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 44589133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).