1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide

C25H28N2O4 — CID 164631306

IUPAC1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1)cn2C
InChIInChI=1S/C25H28N2O4/c1-18-10-11-23-21(15-18)24(28)22(17-26(23)2)25(29)27(16-20-9-6-13-30-20)12-14-31-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,17,20H,6,9,12-14,16H2,1-2H3/t20-/m1/s1
InChIKeyCNODVTMUDAFUBB-HXUWFJFHSA-N
MW420.51 g/mol
LogP3.55
Rot. Bonds7

About 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide

1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide (PubChem CID 164631306) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
PubChem CID164631306
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
SMILESCc1ccc2c(c1)c(=O)c(C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1)cn2C
InChIInChI=1S/C25H28N2O4/c1-18-10-11-23-21(15-18)24(28)22(17-26(23)2)25(29)27(16-20-9-6-13-30-20)12-14-31-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,17,20H,6,9,12-14,16H2,1-2H3/t20-/m1/s1
InChIKeyCNODVTMUDAFUBB-HXUWFJFHSA-N
XLogP3.55
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide with MolForge

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Related Compounds

2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 97204039
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide
CID 131903163
3-[[2-(1-methylindol-3-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697832
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
CID 43818819
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-(oxolan-2-ylmethyl)quinoline-3-carboxamide
CID 20859076
3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124699136
2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135888215
3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 97444246

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide?
The IUPAC name of 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide (CID 164631306) is 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide?
The canonical SMILES for 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide is Cc1ccc2c(c1)c(=O)c(C(=O)N(CCOc1ccccc1)C[C@H]1CCCO1)cn2C.
What is the InChIKey of 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide?
The InChIKey is CNODVTMUDAFUBB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-18-10-11-23-21(15-18)24(28)22(17-26(23)2)25(29)27(16-20-9-6-13-30-20)12-14-31-19-7-4-3-5-8-19/h3-5,7-8,10-11,15,17,20H,6,9,12-14,16H2,1-2H3/t20-/m1/s1.
What are the key properties of 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide?
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide is sourced from PubChem (CID 164631306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).