N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide

C26H29N3O3 — CID 71241927

IUPACN-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
SMILESCCN(Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1)C(C)=O
InChIInChI=1S/C26H29N3O3/c1-4-29(18(3)30)16-19-7-9-20(10-8-19)21-12-24-23(6-5-11-27-24)25(13-21)32-17(2)22-14-26(31)28-15-22/h5-13,17,22H,4,14-16H2,1-3H3,(H,28,31)/t17-,22-/m1/s1
InChIKeyBVAFINNOTQEZQY-VGOFRKELSA-N
MW431.54 g/mol
LogP4.17
Rot. Bonds7

About N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide

N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide (PubChem CID 71241927) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
PubChem CID71241927
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide
SMILESCCN(Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1)C(C)=O
InChIInChI=1S/C26H29N3O3/c1-4-29(18(3)30)16-19-7-9-20(10-8-19)21-12-24-23(6-5-11-27-24)25(13-21)32-17(2)22-14-26(31)28-15-22/h5-13,17,22H,4,14-16H2,1-3H3,(H,28,31)/t17-,22-/m1/s1
InChIKeyBVAFINNOTQEZQY-VGOFRKELSA-N
XLogP4.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
The IUPAC name of N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide (CID 71241927) is N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide is CCN(Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1)C(C)=O.
What is the InChIKey of N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
The InChIKey is BVAFINNOTQEZQY-VGOFRKELSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-4-29(18(3)30)16-19-7-9-20(10-8-19)21-12-24-23(6-5-11-27-24)25(13-21)32-17(2)22-14-26(31)28-15-22/h5-13,17,22H,4,14-16H2,1-3H3,(H,28,31)/t17-,22-/m1/s1.
What are the key properties of N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide?
N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 71241927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).