3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide

C22H24N2O4 — CID 110331339

IUPAC3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc(OC(C)C)cc3)cc2c1
InChIInChI=1S/C22H24N2O4/c1-14(2)28-18-7-5-17(6-8-18)23-21(25)11-4-15-12-16-13-19(27-3)9-10-20(16)24-22(15)26/h5-10,12-14H,4,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPISUEKYCDXEUCH-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.90
Rot. Bonds7

About 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide

3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 110331339) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID110331339
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc(OC(C)C)cc3)cc2c1
InChIInChI=1S/C22H24N2O4/c1-14(2)28-18-7-5-17(6-8-18)23-21(25)11-4-15-12-16-13-19(27-3)9-10-20(16)24-22(15)26/h5-10,12-14H,4,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyPISUEKYCDXEUCH-UHFFFAOYSA-N
XLogP3.90
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
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-(2-propan-2-yloxyethyl)propanamide
CID 110418808
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110608005
N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110424012
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
N-(3-chloro-2-methylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331330

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide (CID 110331339) is 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide is COc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc(OC(C)C)cc3)cc2c1.
What is the InChIKey of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is PISUEKYCDXEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)28-18-7-5-17(6-8-18)23-21(25)11-4-15-12-16-13-19(27-3)9-10-20(16)24-22(15)26/h5-10,12-14H,4,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide?
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 380.44 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 110331339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).