3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide

C23H26N2O5 — CID 20896802

IUPAC3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-14(2)25(13-16-12-21(26)24-18-9-7-6-8-17(16)18)23(27)15-10-19(28-3)22(30-5)20(11-15)29-4/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyKFAUQURDNXWPKB-UHFFFAOYSA-N
MW410.47 g/mol
LogP3.60
Rot. Bonds7

About 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide

3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 20896802) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID20896802
Molecular FormulaC23H26N2O5
Molecular Weight410.47 g/mol
Exact Mass410.18
IUPAC Name3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc(OC)c1OC
InChIInChI=1S/C23H26N2O5/c1-14(2)25(13-16-12-21(26)24-18-9-7-6-8-17(16)18)23(27)15-10-19(28-3)22(30-5)20(11-15)29-4/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyKFAUQURDNXWPKB-UHFFFAOYSA-N
XLogP3.60
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896805
3-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20896798
3-(2,5-dimethylphenyl)-1-[(2-oxo-1H-quinolin-4-yl)methyl]-1-propan-2-ylurea
CID 50749328
4-[(2-methoxyphenyl)sulfanylmethyl]-1H-quinolin-2-one
CID 6324316
2-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylpropanamide
CID 664261
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
N-(4-methoxyphenyl)-4-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 2031864
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565
N-benzyl-3,4,5-trimethoxy-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]benzamide
CID 52501698
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-phenylacetamide
CID 664652
3,5-dimethoxy-N-(2-methylpropyl)-4-phenylmethoxy-N-propan-2-ylbenzamide
CID 55602174

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide (CID 20896802) is 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide is COc1cc(C(=O)N(Cc2cc(=O)[nH]c3ccccc23)C(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is KFAUQURDNXWPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-14(2)25(13-16-12-21(26)24-18-9-7-6-8-17(16)18)23(27)15-10-19(28-3)22(30-5)20(11-15)29-4/h6-12,14H,13H2,1-5H3,(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 410.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 20896802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).