3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide

C21H19N3O5 — CID 110608005

IUPAC3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc4oc(=O)n(C)c4c3)cc2c1
InChIInChI=1S/C21H19N3O5/c1-24-17-11-14(4-7-18(17)29-21(24)27)22-19(25)8-3-12-9-13-10-15(28-2)5-6-16(13)23-20(12)26/h4-7,9-11H,3,8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyICBYGAQZFFUXRM-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.55
Rot. Bonds5

About 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide

3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110608005) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
PubChem CID110608005
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC Name3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc4oc(=O)n(C)c4c3)cc2c1
InChIInChI=1S/C21H19N3O5/c1-24-17-11-14(4-7-18(17)29-21(24)27)22-19(25)8-3-12-9-13-10-15(28-2)5-6-16(13)23-20(12)26/h4-7,9-11H,3,8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyICBYGAQZFFUXRM-UHFFFAOYSA-N
XLogP2.55
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331339
2-(3-methoxyphenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 110662027
N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110424012
3-(methylamino)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 83547008
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
N-(3-chloro-2-methylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331330
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
N-(3-methoxyphenyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331426

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide (CID 110608005) is 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is COc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc4oc(=O)n(C)c4c3)cc2c1.
What is the InChIKey of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is ICBYGAQZFFUXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-24-17-11-14(4-7-18(17)29-21(24)27)22-19(25)8-3-12-9-13-10-15(28-2)5-6-16(13)23-20(12)26/h4-7,9-11H,3,8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide?
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 393.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110608005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).