N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone

C68H76N10O10S2 — CID 161406715

IUPACN-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone
SMILESCOc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)=O)n3)nc2c1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)C)n3)nc2c1
InChIInChI=1S/C23H28N4O3S.C23H24N2O3.C22H24N4O4S/c1-13(2)24-23-26-20(12-31-23)19-10-22(17-7-6-15(29-5)8-18(17)25-19)30-16-9-21(14(3)28)27(4)11-16;1-15(26)22-12-18(14-25(22)2)28-23-13-20(16-7-5-4-6-8-16)24-21-11-17(27-3)9-10-19(21)23;1-12(27)20-8-15(10-26(20)3)30-21-9-18(19-11-31-22(25-19)23-13(2)28)24-17-7-14(29-4)5-6-16(17)21/h6-8,10,12-13,16,21H,9,11H2,1-5H3,(H,24,26);4-11,13,18,22H,12,14H2,1-3H3;5-7,9,11,15,20H,8,10H2,1-4H3,(H,23,25,28)
InChIKeyVUXZGYADTGKEJN-UHFFFAOYSA-N
MW1257.55 g/mol
LogP11.54
Rot. Bonds18

About N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone

N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 161406715) has the molecular formula C68H76N10O10S2 and a molecular weight of 1257.55 g/mol. Its IUPAC name is N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound NameN-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone
PubChem CID161406715
Molecular FormulaC68H76N10O10S2
Molecular Weight1257.55 g/mol
Exact Mass1256.52
IUPAC NameN-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone
SMILESCOc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)=O)n3)nc2c1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)C)n3)nc2c1
InChIInChI=1S/C23H28N4O3S.C23H24N2O3.C22H24N4O4S/c1-13(2)24-23-26-20(12-31-23)19-10-22(17-7-6-15(29-5)8-18(17)25-19)30-16-9-21(14(3)28)27(4)11-16;1-15(26)22-12-18(14-25(22)2)28-23-13-20(16-7-5-4-6-8-16)24-21-11-17(27-3)9-10-19(21)23;1-12(27)20-8-15(10-26(20)3)30-21-9-18(19-11-31-22(25-19)23-13(2)28)24-17-7-14(29-4)5-6-16(17)21/h6-8,10,12-13,16,21H,9,11H2,1-5H3,(H,24,26);4-11,13,18,22H,12,14H2,1-3H3;5-7,9,11,15,20H,8,10H2,1-4H3,(H,23,25,28)
InChIKeyVUXZGYADTGKEJN-UHFFFAOYSA-N
XLogP11.54
TPSA221.89 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001257.55
LogP ≤ 511.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone with MolForge

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Related Compounds

Ciluprevir
CID 9853710
(1S,4R,6S,7Z,18R)-N-cyclopropylsulfonyl-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide
CID 44580217
(1S,4R,6S,7Z,14S,18R)-18-[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxyquinolin-4-yl]oxy-14-(cyclopentyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 11158552
(1S,4R,6S,7Z,14S,18R)-18-[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxyquinolin-4-yl]oxy-14-(cyclobutyloxycarbonylamino)-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 11181822
(1S,4R,6S,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-[2-[2-(ethylamino)-1,3-thiazol-4-yl]-7-methoxyquinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 11262774
(1S,4R,6S,7Z,14S,18R)-14-(cyclopentyloxycarbonylamino)-18-[7-methoxy-2-[2-(methylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 11468306
trans-(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-cyclohexyl-2-(3,3-dimethylbutylamino)acetyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]amino]-N-cyclopropylsulfonyl-2-ethenylcyclopropane-1-carboxamide
CID 45268790
(1S,4R,6S,7E,14R,18R)-14-(cyclopentyloxycarbonylamino)-18-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 76314362
trans-(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-[2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]-7-methoxyquinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 9897321
trans-(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-[8-fluoro-7-methoxy-2-[2-(propanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
CID 11170269
(1S,4R,6S,14S,18R)-7-cis-18-[2-(2-Acetylaminothiazol-4-yl)-7-methoxyquinolin-4-yloxy]-14-tert-butoxycar-bonylamino-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]-nonadec-7-ene-4-carboxylic acid
CID 11377725
[(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropyl]-phenyl-phosphinic acid
CID 11614865

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone (CID 161406715) is N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone is COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3ccccc3)nc2c1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)=O)n3)nc2c1.COc1ccc2c(OC3CC(C(C)=O)N(C)C3)cc(-c3csc(NC(C)C)n3)nc2c1.
What is the InChIKey of N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is VUXZGYADTGKEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S.C23H24N2O3.C22H24N4O4S/c1-13(2)24-23-26-20(12-31-23)19-10-22(17-7-6-15(29-5)8-18(17)25-19)30-16-9-21(14(3)28)27(4)11-16;1-15(26)22-12-18(14-25(22)2)28-23-13-20(16-7-5-4-6-8-16)24-21-11-17(27-3)9-10-19(21)23;1-12(27)20-8-15(10-26(20)3)30-21-9-18(19-11-31-22(25-19)23-13(2)28)24-17-7-14(29-4)5-6-16(17)21/h6-8,10,12-13,16,21H,9,11H2,1-5H3,(H,24,26);4-11,13,18,22H,12,14H2,1-3H3;5-7,9,11,15,20H,8,10H2,1-4H3,(H,23,25,28).
What are the key properties of N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone?
N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 1257.55 g/mol, XLogP of 11.54, 18 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-acetyl-1-methylpyrrolidin-3-yl)oxy-7-methoxyquinolin-2-yl]-1,3-thiazol-2-yl]acetamide;1-[4-(7-methoxy-2-phenylquinolin-4-yl)oxy-1-methylpyrrolidin-2-yl]ethanone;1-[4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 161406715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).