(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide

C24H29ClN4O4 — CID 25059405

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide
SMILESCOC1CN(C)Cc2ccc(NC(=O)[C@H]3C[C@@H](OC)CN3C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H29ClN4O4/c1-28-12-15-4-7-18(10-20(15)22(14-28)33-3)26-23(30)21-11-19(32-2)13-29(21)24(31)27-17-8-5-16(25)6-9-17/h4-10,19,21-22H,11-14H2,1-3H3,(H,26,30)(H,27,31)/t19-,21-,22?/m1/s1
InChIKeyAXGQWVCQHFGJMT-ZJBPFHOOSA-N
MW472.97 g/mol
LogP3.73
Rot. Bonds5

About (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 25059405) has the molecular formula C24H29ClN4O4 and a molecular weight of 472.97 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID25059405
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97 g/mol
Exact Mass472.19
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide
SMILESCOC1CN(C)Cc2ccc(NC(=O)[C@H]3C[C@@H](OC)CN3C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H29ClN4O4/c1-28-12-15-4-7-18(10-20(15)22(14-28)33-3)26-23(30)21-11-19(32-2)13-29(21)24(31)27-17-8-5-16(25)6-9-17/h4-10,19,21-22H,11-14H2,1-3H3,(H,26,30)(H,27,31)/t19-,21-,22?/m1/s1
InChIKeyAXGQWVCQHFGJMT-ZJBPFHOOSA-N
XLogP3.73
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.97
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide (CID 25059405) is (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide is COC1CN(C)Cc2ccc(NC(=O)[C@H]3C[C@@H](OC)CN3C(=O)Nc3ccc(Cl)cc3)cc21.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is AXGQWVCQHFGJMT-ZJBPFHOOSA-N. The full InChI is InChI=1S/C24H29ClN4O4/c1-28-12-15-4-7-18(10-20(15)22(14-28)33-3)26-23(30)21-11-19(32-2)13-29(21)24(31)27-17-8-5-16(25)6-9-17/h4-10,19,21-22H,11-14H2,1-3H3,(H,26,30)(H,27,31)/t19-,21-,22?/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 472.97 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 25059405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).