2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide

C24H26N2O3 — CID 1313899

IUPAC2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C24H26N2O3/c1-15-10-16(2)23-20(11-15)21(24(27)25-14-19-8-5-9-29-19)13-22(26-23)17-6-4-7-18(12-17)28-3/h4,6-7,10-13,19H,5,8-9,14H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyBRMXIOXNXLBFSD-LJQANCHMSA-N
MW390.48 g/mol
LogP4.44
Rot. Bonds5

About 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide

2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide (PubChem CID 1313899) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
PubChem CID1313899
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)cc(C)c3n2)c1
InChIInChI=1S/C24H26N2O3/c1-15-10-16(2)23-20(11-15)21(24(27)25-14-19-8-5-9-29-19)13-22(26-23)17-6-4-7-18(12-17)28-3/h4,6-7,10-13,19H,5,8-9,14H2,1-3H3,(H,25,27)/t19-/m1/s1
InChIKeyBRMXIOXNXLBFSD-LJQANCHMSA-N
XLogP4.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide with MolForge

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Related Compounds

1-[(3S)-1,1-dioxothiolan-3-yl]-6-(3-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 27461683
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
2-(3-methoxyphenyl)-6,8-dimethyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 19647752
ethyl 4-[[2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carbonyl]amino]benzoate
CID 19647745
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 3414776
2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110329457
N-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647775
2-methyl-8-(4-methylphenyl)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 46334731
2,3-dimethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4781408
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46386589
2-(4-chlorophenyl)-6-methyl-N-[[(2S)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 7920218
2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3224469

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide (CID 1313899) is 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(C)cc(C)c3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
The InChIKey is BRMXIOXNXLBFSD-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-15-10-16(2)23-20(11-15)21(24(27)25-14-19-8-5-9-29-19)13-22(26-23)17-6-4-7-18(12-17)28-3/h4,6-7,10-13,19H,5,8-9,14H2,1-3H3,(H,25,27)/t19-/m1/s1.
What are the key properties of 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide?
2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6,8-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 1313899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).