methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one

C56H78N12O9 — CID 158148780

IUPACmethane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one
SMILESC.C.CC(=O)C[C@H]1CCNC1.COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)N3CC[C@H](CC(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)O)c2CC[C@@H]1C
InChIInChI=1S/C27H34N6O4.C20H23N5O4.C7H13NO.2CH4/c1-18-5-6-21-22(33(18)27(36)37-3)7-8-23-26(21)29-24(10-14-31-12-4-11-28-31)32(23)17-25(35)30-13-9-20(16-30)15-19(2)34;1-13-4-5-14-15(25(13)20(28)29-2)6-7-16-19(14)22-17(24(16)12-18(26)27)8-11-23-10-3-9-21-23;1-6(9)4-7-2-3-8-5-7;;/h4,7-8,11-12,18,20H,5-6,9-10,13-17H2,1-3H3;3,6-7,9-10,13H,4-5,8,11-12H2,1-2H3,(H,26,27);7-8H,2-5H2,1H3;2*1H4/t18-,20+;13-;7-;;/m001../s1
InChIKeyFUVMDQDPIFLJGE-IEIJXGIZSA-N
MW1063.31 g/mol
LogP7.53
Rot. Bonds14

About methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one

methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one (PubChem CID 158148780) has the molecular formula C56H78N12O9 and a molecular weight of 1063.31 g/mol. Its IUPAC name is methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one.

Molecular Properties

Compound Namemethane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one
PubChem CID158148780
Molecular FormulaC56H78N12O9
Molecular Weight1063.31 g/mol
Exact Mass1062.60
IUPAC Namemethane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one
SMILESC.C.CC(=O)C[C@H]1CCNC1.COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)N3CC[C@H](CC(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)O)c2CC[C@@H]1C
InChIInChI=1S/C27H34N6O4.C20H23N5O4.C7H13NO.2CH4/c1-18-5-6-21-22(33(18)27(36)37-3)7-8-23-26(21)29-24(10-14-31-12-4-11-28-31)32(23)17-25(35)30-13-9-20(16-30)15-19(2)34;1-13-4-5-14-15(25(13)20(28)29-2)6-7-16-19(14)22-17(24(16)12-18(26)27)8-11-23-10-3-9-21-23;1-6(9)4-7-2-3-8-5-7;;/h4,7-8,11-12,18,20H,5-6,9-10,13-17H2,1-3H3;3,6-7,9-10,13H,4-5,8,11-12H2,1-2H3,(H,26,27);7-8H,2-5H2,1H3;2*1H4/t18-,20+;13-;7-;;/m001../s1
InChIKeyFUVMDQDPIFLJGE-IEIJXGIZSA-N
XLogP7.53
TPSA234.14 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001063.31
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one with MolForge

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Related Compounds

US11292791, Example 341
CID 138479164
US11292791, Example 344
CID 138479165
US11292791, Example 345
CID 138479168
US11292791, Example 335
CID 138479186
US11292791, Example 289
CID 138479196
US11292791, Example 371
CID 138479205
US11292791, Example 352
CID 138479276
US11292791, Example 353
CID 138479277
US11292791, Example 309
CID 138479288
US11292791, Example 347
CID 138479415
US11292791, Example 350
CID 138479417
US11292791, Example 294
CID 138479424

Frequently Asked Questions

What is the IUPAC name of methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one?
The IUPAC name of methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one (CID 158148780) is methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one.
What is the SMILES notation for methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one?
The canonical SMILES for methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one is C.C.CC(=O)C[C@H]1CCNC1.COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)N3CC[C@H](CC(C)=O)C3)c2CC[C@@H]1C.COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)O)c2CC[C@@H]1C.
What is the InChIKey of methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one?
The InChIKey is FUVMDQDPIFLJGE-IEIJXGIZSA-N. The full InChI is InChI=1S/C27H34N6O4.C20H23N5O4.C7H13NO.2CH4/c1-18-5-6-21-22(33(18)27(36)37-3)7-8-23-26(21)29-24(10-14-31-12-4-11-28-31)32(23)17-25(35)30-13-9-20(16-30)15-19(2)34;1-13-4-5-14-15(25(13)20(28)29-2)6-7-16-19(14)22-17(24(16)12-18(26)27)8-11-23-10-3-9-21-23;1-6(9)4-7-2-3-8-5-7;;/h4,7-8,11-12,18,20H,5-6,9-10,13-17H2,1-3H3;3,6-7,9-10,13H,4-5,8,11-12H2,1-2H3,(H,26,27);7-8H,2-5H2,1H3;2*1H4/t18-,20+;13-;7-;;/m001../s1.
What are the key properties of methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one?
methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one has a molecular weight of 1063.31 g/mol, XLogP of 7.53, 14 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[(7S)-6-methoxycarbonyl-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]acetic acid;methyl (7S)-7-methyl-3-[2-oxo-2-[(3R)-3-(2-oxopropyl)pyrrolidin-1-yl]ethyl]-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate;1-[(3R)-pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 158148780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).