(4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

C34H36N4O7 — CID 54058407

IUPAC(4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)[C@H](NC(=O)C2C[C@@H](O)CN2C(=O)c2cn(C)c3ccccc23)Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C34H36N4O7/c1-36-19-24(23-10-6-7-11-26(23)36)33(41)38-18-22(39)15-28(38)32(40)35-25-13-21-14-30(44-3)31(45-4)16-27(21)37(34(25)42)17-20-9-5-8-12-29(20)43-2/h5-12,14,16,19,22,25,28,39H,13,15,17-18H2,1-4H3,(H,35,40)/t22-,25-,28?/m1/s1
InChIKeyLXXLNOLGLYFCPY-RDCUFOFQSA-N
MW612.68 g/mol
LogP3.05
Rot. Bonds8

About (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide

(4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 54058407) has the molecular formula C34H36N4O7 and a molecular weight of 612.68 g/mol. Its IUPAC name is (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
PubChem CID54058407
Molecular FormulaC34H36N4O7
Molecular Weight612.68 g/mol
Exact Mass612.26
IUPAC Name(4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
SMILESCOc1ccccc1CN1C(=O)[C@H](NC(=O)C2C[C@@H](O)CN2C(=O)c2cn(C)c3ccccc23)Cc2cc(OC)c(OC)cc21
InChIInChI=1S/C34H36N4O7/c1-36-19-24(23-10-6-7-11-26(23)36)33(41)38-18-22(39)15-28(38)32(40)35-25-13-21-14-30(44-3)31(45-4)16-27(21)37(34(25)42)17-20-9-5-8-12-29(20)43-2/h5-12,14,16,19,22,25,28,39H,13,15,17-18H2,1-4H3,(H,35,40)/t22-,25-,28?/m1/s1
InChIKeyLXXLNOLGLYFCPY-RDCUFOFQSA-N
XLogP3.05
TPSA122.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.68
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

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CID 71606245
4-[4-[[4-[4-[[(12aS)-8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl]oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]phenyl]-1-methyl-N-[2-methyl-2-(methyldisulfanyl)propyl]pyrrole-2-carboxamide
CID 142617160
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
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CID 44448950
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CID 396779
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CID 9830460
Azalamellarin N
CID 122387893

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide (CID 54058407) is (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide is COc1ccccc1CN1C(=O)[C@H](NC(=O)C2C[C@@H](O)CN2C(=O)c2cn(C)c3ccccc23)Cc2cc(OC)c(OC)cc21.
What is the InChIKey of (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LXXLNOLGLYFCPY-RDCUFOFQSA-N. The full InChI is InChI=1S/C34H36N4O7/c1-36-19-24(23-10-6-7-11-26(23)36)33(41)38-18-22(39)15-28(38)32(40)35-25-13-21-14-30(44-3)31(45-4)16-27(21)37(34(25)42)17-20-9-5-8-12-29(20)43-2/h5-12,14,16,19,22,25,28,39H,13,15,17-18H2,1-4H3,(H,35,40)/t22-,25-,28?/m1/s1.
What are the key properties of (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide?
(4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 612.68 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3R)-6,7-dimethoxy-1-[(2-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-3-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 54058407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).