(4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one

C29H36N4O6 — CID 53341029

IUPAC(4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2cc(OC)c(OCCN3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C29H36N4O6/c1-4-24(20-16-27(34)31-18-20)39-29-21-6-5-7-30-23(21)17-22(32-29)19-14-25(35-2)28(26(15-19)36-3)38-13-10-33-8-11-37-12-9-33/h5-7,14-15,17,20,24H,4,8-13,16,18H2,1-3H3,(H,31,34)/t20-,24-/m1/s1
InChIKeyAVGXUNVNNIZQOV-HYBUGGRVSA-N
MW536.63 g/mol
LogP3.32
Rot. Bonds11

About (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (PubChem CID 53341029) has the molecular formula C29H36N4O6 and a molecular weight of 536.63 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
PubChem CID53341029
Molecular FormulaC29H36N4O6
Molecular Weight536.63 g/mol
Exact Mass536.26
IUPAC Name(4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one
SMILESCC[C@@H](Oc1nc(-c2cc(OC)c(OCCN3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C29H36N4O6/c1-4-24(20-16-27(34)31-18-20)39-29-21-6-5-7-30-23(21)17-22(32-29)19-14-25(35-2)28(26(15-19)36-3)38-13-10-33-8-11-37-12-9-33/h5-7,14-15,17,20,24H,4,8-13,16,18H2,1-3H3,(H,31,34)/t20-,24-/m1/s1
InChIKeyAVGXUNVNNIZQOV-HYBUGGRVSA-N
XLogP3.32
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.63
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one (CID 53341029) is (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is CC[C@@H](Oc1nc(-c2cc(OC)c(OCCN3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
The InChIKey is AVGXUNVNNIZQOV-HYBUGGRVSA-N. The full InChI is InChI=1S/C29H36N4O6/c1-4-24(20-16-27(34)31-18-20)39-29-21-6-5-7-30-23(21)17-22(32-29)19-14-25(35-2)28(26(15-19)36-3)38-13-10-33-8-11-37-12-9-33/h5-7,14-15,17,20,24H,4,8-13,16,18H2,1-3H3,(H,31,34)/t20-,24-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one has a molecular weight of 536.63 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[[7-[3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,6-naphthyridin-5-yl]oxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 53341029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).