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

C83H112N10O7S2 — CID 161235903

IUPAC4-(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
SMILESCOc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3csc(NC(C)=O)n3)nc2c1.COc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3csc(NC(C)C)n3)nc2c1
InChIInChI=1S/C28H40N4O2S.C28H36N2O2.C27H36N4O3S/c1-17(2)29-26-31-23(16-35-26)22-14-24(20-11-10-18(33-9)12-21(20)30-22)34-19-13-25(27(3,4)5)32(15-19)28(6,7)8;1-27(2,3)26-16-21(18-30(26)28(4,5)6)32-25-17-23(19-11-9-8-10-12-19)29-24-15-20(31-7)13-14-22(24)25;1-16(32)28-25-30-22(15-35-25)21-13-23(19-10-9-17(33-8)11-20(19)29-21)34-18-12-24(26(2,3)4)31(14-18)27(5,6)7/h10-12,14,16-17,19,25H,13,15H2,1-9H3,(H,29,31);8-15,17,21,26H,16,18H2,1-7H3;9-11,13,15,18,24H,12,14H2,1-8H3,(H,28,30,32)
InChIKeyUZJDFSPUILCILD-UHFFFAOYSA-N
MW1426.01 g/mol
LogP19.42
Rot. Bonds15

About 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

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 (PubChem CID 161235903) has the molecular formula C83H112N10O7S2 and a molecular weight of 1426.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID161235903
Molecular FormulaC83H112N10O7S2
Molecular Weight1426.01 g/mol
Exact Mass1424.82
IUPAC Name4-(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
SMILESCOc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3csc(NC(C)=O)n3)nc2c1.COc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3csc(NC(C)C)n3)nc2c1
InChIInChI=1S/C28H40N4O2S.C28H36N2O2.C27H36N4O3S/c1-17(2)29-26-31-23(16-35-26)22-14-24(20-11-10-18(33-9)12-21(20)30-22)34-19-13-25(27(3,4)5)32(15-19)28(6,7)8;1-27(2,3)26-16-21(18-30(26)28(4,5)6)32-25-17-23(19-11-9-8-10-12-19)29-24-15-20(31-7)13-14-22(24)25;1-16(32)28-25-30-22(15-35-25)21-13-23(19-10-9-17(33-8)11-20(19)29-21)34-18-12-24(26(2,3)4)31(14-18)27(5,6)7/h10-12,14,16-17,19,25H,13,15H2,1-9H3,(H,29,31);8-15,17,21,26H,16,18H2,1-7H3;9-11,13,15,18,24H,12,14H2,1-8H3,(H,28,30,32)
InChIKeyUZJDFSPUILCILD-UHFFFAOYSA-N
XLogP19.42
TPSA170.68 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001426.01
LogP ≤ 519.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 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 with MolForge

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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
(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
(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
[(2S)-1-[(2S,4R)-2-carboxy-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl-cyclopentylideneoxidanium
CID 58655251
(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
(2R,4S)-2-[[(2S,4R)-4-[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxyquinolin-4-yl]oxy-1-[(2S)-2-cyclohexyl-4-(cyclopentylamino)-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylhex-5-enoic acid
CID 11491294
(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carboxylic acid
CID 59127595
(2S)-4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylsulfonylpyrrolidine-2-carboxylic acid
CID 143643438
[(1S,2S)-1-[[(2S,4R)-1-[2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropyl]-phenylphosphinic acid
CID 88955097
1-[3-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidin-1-yl]ethanone
CID 141203944
(1R,2S,4R)-2-acetamido-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentane-1-carboxylic acid
CID 59441103
4-(1-iodo-5-methylpyrrolidin-3-yl)oxy-7-methoxy-2-phenylquinoline
CID 143036531

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3csc(NC(C)=O)n3)nc2c1.COc1ccc2c(OC3CC(C(C)(C)C)N(C(C)(C)C)C3)cc(-c3csc(NC(C)C)n3)nc2c1.
What is the InChIKey of 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?
The InChIKey is UZJDFSPUILCILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2S.C28H36N2O2.C27H36N4O3S/c1-17(2)29-26-31-23(16-35-26)22-14-24(20-11-10-18(33-9)12-21(20)30-22)34-19-13-25(27(3,4)5)32(15-19)28(6,7)8;1-27(2,3)26-16-21(18-30(26)28(4,5)6)32-25-17-23(19-11-9-8-10-12-19)29-24-15-20(31-7)13-14-22(24)25;1-16(32)28-25-30-22(15-35-25)21-13-23(19-10-9-17(33-8)11-20(19)29-21)34-18-12-24(26(2,3)4)31(14-18)27(5,6)7/h10-12,14,16-17,19,25H,13,15H2,1-9H3,(H,29,31);8-15,17,21,26H,16,18H2,1-7H3;9-11,13,15,18,24H,12,14H2,1-8H3,(H,28,30,32).
What are the key properties of 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?
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 has a molecular weight of 1426.01 g/mol, XLogP of 19.42, 15 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161235903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).