2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C23H31N3O4 — CID 42166967

IUPAC2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@@H]1CCCO1
InChIInChI=1S/C23H31N3O4/c1-28-16-22(27)26(15-20-6-5-11-30-20)14-18-12-17-7-8-19(29-2)13-21(17)24-23(18)25-9-3-4-10-25/h7-8,12-13,20H,3-6,9-11,14-16H2,1-2H3/t20-/m0/s1
InChIKeyLCOKRRABYDCQFI-FQEVSTJZSA-N
MW413.52 g/mol
LogP3.00
Rot. Bonds8

About 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 42166967) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID42166967
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCOCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@@H]1CCCO1
InChIInChI=1S/C23H31N3O4/c1-28-16-22(27)26(15-20-6-5-11-30-20)14-18-12-17-7-8-19(29-2)13-21(17)24-23(18)25-9-3-4-10-25/h7-8,12-13,20H,3-6,9-11,14-16H2,1-2H3/t20-/m0/s1
InChIKeyLCOKRRABYDCQFI-FQEVSTJZSA-N
XLogP3.00
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyl-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 42169642
4-methoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45186810
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 26398686
3,5-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26398689
2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45196925
N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42429857
N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 26335024
N-[[7-fluoro-2-(4-hydroxypiperidin-1-yl)quinolin-3-yl]methyl]-3,4-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45175981
N-[2-(4-fluorophenyl)ethyl]-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]cyclopropanecarboxamide
CID 26349948
N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 42819265
N-[[2-(azepan-1-yl)-6-methylquinolin-3-yl]methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45166039
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 42166967) is 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is COCC(=O)N(Cc1cc2ccc(OC)cc2nc1N1CCCC1)C[C@@H]1CCCO1.
What is the InChIKey of 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is LCOKRRABYDCQFI-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-28-16-22(27)26(15-20-6-5-11-30-20)14-18-12-17-7-8-19(29-2)13-21(17)24-23(18)25-9-3-4-10-25/h7-8,12-13,20H,3-6,9-11,14-16H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(7-methoxy-2-pyrrolidin-1-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 42166967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).