2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol

C18H21N3O3S — CID 88583719

IUPAC2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
SMILESCOc1cc(-c2csc(NC(C)C)n2)nc2cc(OCCO)ccc12
InChIInChI=1S/C18H21N3O3S/c1-11(2)19-18-21-16(10-25-18)15-9-17(23-3)13-5-4-12(24-7-6-22)8-14(13)20-15/h4-5,8-11,22H,6-7H2,1-3H3,(H,19,21)
InChIKeyZTKYAVSZXUCDRN-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.56
Rot. Bonds7

About 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol

2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol (PubChem CID 88583719) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol.

Molecular Properties

Compound Name2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
PubChem CID88583719
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
SMILESCOc1cc(-c2csc(NC(C)C)n2)nc2cc(OCCO)ccc12
InChIInChI=1S/C18H21N3O3S/c1-11(2)19-18-21-16(10-25-18)15-9-17(23-3)13-5-4-12(24-7-6-22)8-14(13)20-15/h4-5,8-11,22H,6-7H2,1-3H3,(H,19,21)
InChIKeyZTKYAVSZXUCDRN-UHFFFAOYSA-N
XLogP3.56
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol 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

(2S,4R)-1-(2-hydroxyacetyl)-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carboxylic acid
CID 59441297
4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline;4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;N-[4-[4-(1,5-ditert-butylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 161235903
(2S,4R)-1-(3-acetamido-5-methylhexanoyl)-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carboxylic acid
CID 87470802
N-ethyl-4-(4-ethyl-7-methoxyquinolin-2-yl)-1,3-thiazol-2-amine
CID 89207398
4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 163495165
4-(4,7-dimethoxyquinolin-2-yl)-1,3-thiazole
CID 70319073
(2S,4R)-1-(1H-indole-2-carbonyl)-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carboxylic acid
CID 87469311
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3-methylbutanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carboxylic acid
CID 59441221
ethyl 17-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-13-methyl-2,14-dioxo-3,13-diazabicyclo[13.3.0]octadec-7-ene-4-carboxylate
CID 173087674
4-[8-chloro-7-[(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxy]-4-methoxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 148851004
1-[4-methoxy-7-(2-methoxyethoxy)quinolin-2-yl]-N-propan-2-ylpyrazol-3-amine
CID 70285153

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
The IUPAC name of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol (CID 88583719) is 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol.
What is the SMILES notation for 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
The canonical SMILES for 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol is COc1cc(-c2csc(NC(C)C)n2)nc2cc(OCCO)ccc12.
What is the InChIKey of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
The InChIKey is ZTKYAVSZXUCDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-11(2)19-18-21-16(10-25-18)15-9-17(23-3)13-5-4-12(24-7-6-22)8-14(13)20-15/h4-5,8-11,22H,6-7H2,1-3H3,(H,19,21).
What are the key properties of 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol?
2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol has a molecular weight of 359.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol is sourced from PubChem (CID 88583719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).