2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol

C17H25N3O — CID 60979986

IUPAC2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol
SMILESCCN(CCO)c1nc2ccccc2cc1CNC(C)C
InChIInChI=1S/C17H25N3O/c1-4-20(9-10-21)17-15(12-18-13(2)3)11-14-7-5-6-8-16(14)19-17/h5-8,11,13,18,21H,4,9-10,12H2,1-3H3
InChIKeyNRCYOJJEOWOFFZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.55
Rot. Bonds7

About 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol

2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol (PubChem CID 60979986) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol
PubChem CID60979986
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol
SMILESCCN(CCO)c1nc2ccccc2cc1CNC(C)C
InChIInChI=1S/C17H25N3O/c1-4-20(9-10-21)17-15(12-18-13(2)3)11-14-7-5-6-8-16(14)19-17/h5-8,11,13,18,21H,4,9-10,12H2,1-3H3
InChIKeyNRCYOJJEOWOFFZ-UHFFFAOYSA-N
XLogP2.55
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-3-(ethylaminomethyl)quinolin-2-amine
CID 43280352
2-[ethyl-(3-methylquinolin-2-yl)amino]ethanol
CID 63228987
2-[2,2-difluoroethyl-[3-(methylaminomethyl)quinolin-2-yl]amino]ethanol
CID 107481421
N'-ethyl-N'-(3-methylquinolin-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 63229161
3-[(cyclopropylamino)methyl]-N,N-diethylquinolin-2-amine
CID 43280349
N-ethyl-4-[(propan-2-ylamino)methyl]-N-propylquinolin-2-amine
CID 62279533
2-[ethyl(2-hydroxyethyl)amino]-N'-hydroxyquinoline-3-carboximidamide
CID 77034218
2-[N-ethyl-2-fluoro-6-[(propan-2-ylamino)methyl]anilino]ethanol
CID 114068232
N'-[3-(bromomethyl)quinolin-2-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 107085501
2-[[3-(aminomethyl)quinolin-2-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448987
N-(2-chloroethyl)-N-ethyl-3-methylquinolin-2-amine
CID 63392539
2-[[3-(hydroxymethyl)quinolin-2-yl]-propylamino]acetic acid
CID 122051472

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol (CID 60979986) is 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol is CCN(CCO)c1nc2ccccc2cc1CNC(C)C.
What is the InChIKey of 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol?
The InChIKey is NRCYOJJEOWOFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20(9-10-21)17-15(12-18-13(2)3)11-14-7-5-6-8-16(14)19-17/h5-8,11,13,18,21H,4,9-10,12H2,1-3H3.
What are the key properties of 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol?
2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol has a molecular weight of 287.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]amino]ethanol is sourced from PubChem (CID 60979986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).