[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone

C18H20ClNO5 — CID 71751899

IUPAC[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILES[2H][13C]([2H])([2H])c1c(Cl)cnc(OC)c1C(=O)c1c(C)cc(OC)c(OC)c1OC
InChIInChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3/i2+1D3
InChIKeyNMVCBWZLCXANER-JVXUGDAPSA-N
MW369.82 g/mol
LogP3.62
Rot. Bonds7

About [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone

[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone (PubChem CID 71751899) has the molecular formula C18H20ClNO5 and a molecular weight of 369.82 g/mol. Its IUPAC name is [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone.

Molecular Properties

Compound Name[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
PubChem CID71751899
Molecular FormulaC18H20ClNO5
Molecular Weight369.82 g/mol
Exact Mass369.13
IUPAC Name[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone
SMILES[2H][13C]([2H])([2H])c1c(Cl)cnc(OC)c1C(=O)c1c(C)cc(OC)c(OC)c1OC
InChIInChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3/i2+1D3
InChIKeyNMVCBWZLCXANER-JVXUGDAPSA-N
XLogP3.62
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone with MolForge

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Related Compounds

(5-bromo-4-chloro-2-methoxy-3-pyridinyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 11262685
bis[5-(5-chloro-2-methoxy-4-methyl-3-pyridinyl)-2,3,4-trimethoxy-6-methylphenyl]methanone
CID 156693252
(3-methoxy-2,6-dimethylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671386
(4-bromo-5-chloro-2-ethoxy-1H-pyrrol-3-yl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 150856524
(3-bromo-2-methoxy-6-methylphenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 18185404
methyl 2,3,4-trimethoxy-6-methylbenzoate
CID 59466592
(2-chloro-6-methoxyphenyl)-(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)methanone
CID 15430946
(2,6-dimethyl-3-nitrophenyl)-(2,3,4-trimethoxy-6-methylphenyl)methanone
CID 22671380
[3-methyl-2-(2,3,4-trimethoxy-6-methylbenzoyl)phenyl] acetate
CID 22671378
(3,4-dimethoxy-6-methyl-2-phenylmethoxyphenyl)-(2,6-dimethylphenyl)methanone
CID 22719952
(2-chloro-4,6-dimethoxy-3-methylphenyl)-(2,3-dimethoxy-6-methylphenyl)methanone
CID 54014067
1-(2,3-dimethoxy-5,6-dimethylphenyl)ethanone
CID 117297608

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The IUPAC name of [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone (CID 71751899) is [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone.
What is the SMILES notation for [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The canonical SMILES for [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone is [2H][13C]([2H])([2H])c1c(Cl)cnc(OC)c1C(=O)c1c(C)cc(OC)c(OC)c1OC.
What is the InChIKey of [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
The InChIKey is NMVCBWZLCXANER-JVXUGDAPSA-N. The full InChI is InChI=1S/C18H20ClNO5/c1-9-7-12(22-3)16(23-4)17(24-5)13(9)15(21)14-10(2)11(19)8-20-18(14)25-6/h7-8H,1-6H3/i2+1D3.
What are the key properties of [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone?
[5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone has a molecular weight of 369.82 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methoxy-4-(trideuterio(113C)methyl)-3-pyridinyl]-(2,3,4-trimethoxy-6-methylphenyl)methanone is sourced from PubChem (CID 71751899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).