[2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol

C17H25N3O — CID 103189816

IUPAC[2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol
SMILESCCN(c1nc2ccccc2cc1CO)C(C)CN(C)C
InChIInChI=1S/C17H25N3O/c1-5-20(13(2)11-19(3)4)17-15(12-21)10-14-8-6-7-9-16(14)18-17/h6-10,13,21H,5,11-12H2,1-4H3
InChIKeyBJFDVLKDJTWOIW-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.50
Rot. Bonds6

About [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol

[2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol (PubChem CID 103189816) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol
PubChem CID103189816
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol
SMILESCCN(c1nc2ccccc2cc1CO)C(C)CN(C)C
InChIInChI=1S/C17H25N3O/c1-5-20(13(2)11-19(3)4)17-15(12-21)10-14-8-6-7-9-16(14)18-17/h6-10,13,21H,5,11-12H2,1-4H3
InChIKeyBJFDVLKDJTWOIW-UHFFFAOYSA-N
XLogP2.50
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-methoxyethyl(propan-2-yl)amino]quinolin-3-yl]methanol
CID 82951995
[2-[benzyl(methyl)amino]quinolin-3-yl]methanol
CID 28963473
3-(chloromethyl)-N-methyl-N-(2-methylbutyl)quinolin-2-amine
CID 43296074
3-(bromomethyl)-N-ethyl-N-methylquinolin-2-amine
CID 107079806
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
3-(aminomethyl)-N-propan-2-yl-N-propylquinolin-2-amine
CID 43269833
2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
CID 122051472
N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352
3-(bromomethyl)-N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 107081149
2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol
CID 60979986
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
2-N-ethyl-1-N,1-N-dimethyl-2-N-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]propane-1,2-diamine
CID 103190021

Frequently Asked Questions

What is the IUPAC name of [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol?
The IUPAC name of [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol (CID 103189816) is [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol.
What is the SMILES notation for [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol?
The canonical SMILES for [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol is CCN(c1nc2ccccc2cc1CO)C(C)CN(C)C.
What is the InChIKey of [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol?
The InChIKey is BJFDVLKDJTWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20(13(2)11-19(3)4)17-15(12-21)10-14-8-6-7-9-16(14)18-17/h6-10,13,21H,5,11-12H2,1-4H3.
What are the key properties of [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol?
[2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol has a molecular weight of 287.41 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(dimethylamino)propan-2-yl-ethylamino]quinolin-3-yl]methanol is sourced from PubChem (CID 103189816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).