1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol

C16H26N2O2 — CID 107264180

IUPAC1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CCCc2cc(N)ccc21
InChIInChI=1S/C16H26N2O2/c1-2-3-9-20-12-15(19)11-18-8-4-5-13-10-14(17)6-7-16(13)18/h6-7,10,15,19H,2-5,8-9,11-12,17H2,1H3
InChIKeyIAOVRFQECFYOKQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.20
Rot. Bonds7

About 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol

1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol (PubChem CID 107264180) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
PubChem CID107264180
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CN1CCCc2cc(N)ccc21
InChIInChI=1S/C16H26N2O2/c1-2-3-9-20-12-15(19)11-18-8-4-5-13-10-14(17)6-7-16(13)18/h6-7,10,15,19H,2-5,8-9,11-12,17H2,1H3
InChIKeyIAOVRFQECFYOKQ-UHFFFAOYSA-N
XLogP2.20
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
The IUPAC name of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol (CID 107264180) is 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol.
What is the SMILES notation for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
The canonical SMILES for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol is CCCCOCC(O)CN1CCCc2cc(N)ccc21.
What is the InChIKey of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
The InChIKey is IAOVRFQECFYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-3-9-20-12-15(19)11-18-8-4-5-13-10-14(17)6-7-16(13)18/h6-7,10,15,19H,2-5,8-9,11-12,17H2,1H3.
What are the key properties of 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol?
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-3-butoxypropan-2-ol is sourced from PubChem (CID 107264180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).