4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C21H25ClN4O3S — CID 163495165

IUPAC4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOc1cc(-c2csc(NC(C)C)n2)nc2c(Cl)c(OCC3COCCN3)ccc12
InChIInChI=1S/C21H25ClN4O3S/c1-12(2)24-21-26-16(11-30-21)15-8-18(27-3)14-4-5-17(19(22)20(14)25-15)29-10-13-9-28-7-6-23-13/h4-5,8,11-13,23H,6-7,9-10H2,1-3H3,(H,24,26)
InChIKeyCQBJBEMVENTMDX-UHFFFAOYSA-N
MW448.98 g/mol
LogP4.21
Rot. Bonds7

About 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine

4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 163495165) has the molecular formula C21H25ClN4O3S and a molecular weight of 448.98 g/mol. Its IUPAC name is 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID163495165
Molecular FormulaC21H25ClN4O3S
Molecular Weight448.98 g/mol
Exact Mass448.13
IUPAC Name4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCOc1cc(-c2csc(NC(C)C)n2)nc2c(Cl)c(OCC3COCCN3)ccc12
InChIInChI=1S/C21H25ClN4O3S/c1-12(2)24-21-26-16(11-30-21)15-8-18(27-3)14-4-5-17(19(22)20(14)25-15)29-10-13-9-28-7-6-23-13/h4-5,8,11-13,23H,6-7,9-10H2,1-3H3,(H,24,26)
InChIKeyCQBJBEMVENTMDX-UHFFFAOYSA-N
XLogP4.21
TPSA77.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.98
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine with MolForge

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Related Compounds

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
8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;8-chloro-2-ethoxy-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;8-chloro-7-(2-methoxyethoxy)-2-[3-(2-methylpropyl)pyrazol-1-yl]-4-propan-2-yloxyquinoline;4-[8-chloro-7-[[(3R)-4-methylmorpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3S)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine;4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 158081741
trans-(1R,2R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-[[(1S)-3,3-difluorocyclopentyl]methoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-2-ethoxy-7-(2-methoxyethoxy)quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-[[(3R)-morpholin-3-yl]methoxy]-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
CID 158379201
2-[4-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-7-yl]oxyethanol
CID 88583719
3-[(5-chloro-2-methoxyphenyl)methyl]morpholine
CID 82293165
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
trans-(1R,2R)-1-[[(4R)-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[[(1S,3R)-3-methylcyclopentyl]oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 129184896
methyl (2S)-1-[[(2S)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-oxoethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylate
CID 129195821
trans-(1R,2R)-1-[[(4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutyl]-4-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 126590519
[(1S,4R,6S,14S,18R)-18-[8-chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-14-(2-cyclopentyloxy-2-oxoethyl)-2,15-dioxo-12-oxa-16-azatricyclo[14.3.0.04,6]nonadecan-4-yl]-[(2-fluoro-6-methylphenyl)methyl]phosphinic acid
CID 58214967
trans-(1R,2R)-1-[[1-[(2S)-2-[[(1R,5S)-bicyclo[3.1.0]hexane-3-carbonyl]amino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-piperidin-1-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropane-1-carboxylic acid
CID 71594376
(1S,4R,6R,18R)-18-[8-chloro-7-(2-morpholin-4-ylethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-14-[[(1S,5R)-6-methyl-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadecane-4-carboxylic acid
CID 129195124

Frequently Asked Questions

What is the IUPAC name of 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 163495165) is 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is COc1cc(-c2csc(NC(C)C)n2)nc2c(Cl)c(OCC3COCCN3)ccc12.
What is the InChIKey of 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is CQBJBEMVENTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O3S/c1-12(2)24-21-26-16(11-30-21)15-8-18(27-3)14-4-5-17(19(22)20(14)25-15)29-10-13-9-28-7-6-23-13/h4-5,8,11-13,23H,6-7,9-10H2,1-3H3,(H,24,26).
What are the key properties of 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 448.98 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-chloro-4-methoxy-7-(morpholin-3-ylmethoxy)quinolin-2-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 163495165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).