N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

C22H24N2O5 — CID 53174760

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)NCc3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C22H24N2O5/c1-27-17-6-7-18-16(12-17)11-15(22(26)24-18)5-9-21(25)23-13-14-4-8-19(28-2)20(10-14)29-3/h4,6-8,10-12H,5,9,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGDOFPGQSVRNKCG-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.80
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 53174760) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID53174760
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)NCc3ccc(OC)c(OC)c3)cc2c1
InChIInChI=1S/C22H24N2O5/c1-27-17-6-7-18-16(12-17)11-15(22(26)24-18)5-9-21(25)23-13-14-4-8-19(28-2)20(10-14)29-3/h4,6-8,10-12H,5,9,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyGDOFPGQSVRNKCG-UHFFFAOYSA-N
XLogP2.80
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110412926
N-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331295
N-(3,4-dimethoxyphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110426059
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
3-(2-methoxyphenyl)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]propanamide
CID 110666107
N-[2-(3-chlorophenyl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331318
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174801
N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
2-(2,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9427593

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (CID 53174760) is N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is COc1ccc2[nH]c(=O)c(CCC(=O)NCc3ccc(OC)c(OC)c3)cc2c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is GDOFPGQSVRNKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-17-6-7-18-16(12-17)11-15(22(26)24-18)5-9-21(25)23-13-14-4-8-19(28-2)20(10-14)29-3/h4,6-8,10-12H,5,9,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 396.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 53174760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).