N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide

C26H24ClN3O2 — CID 20910572

IUPACN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)cc1
InChIInChI=1S/C26H24ClN3O2/c1-17-14-25(28-20-5-3-4-19(27)15-20)30-24-12-9-21(16-23(17)24)29-26(31)13-8-18-6-10-22(32-2)11-7-18/h3-7,9-12,14-16H,8,13H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyABHGEEPLBHTDKI-UHFFFAOYSA-N
MW445.95 g/mol
LogP6.52
Rot. Bonds7

About N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide

N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 20910572) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID20910572
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC NameN-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)cc1
InChIInChI=1S/C26H24ClN3O2/c1-17-14-25(28-20-5-3-4-19(27)15-20)30-24-12-9-21(16-23(17)24)29-26(31)13-8-18-6-10-22(32-2)11-7-18/h3-7,9-12,14-16H,8,13H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyABHGEEPLBHTDKI-UHFFFAOYSA-N
XLogP6.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-2-pyridin-3-ylacetamide
CID 20910578
N-[4-(3-chloroanilino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112986980
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-1H-indole-2-carboxamide
CID 20910579
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-chlorophenyl)propanamide
CID 113121533
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 3604523
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-(3-chlorophenyl)-N'-[(4-methoxyphenyl)methylideneamino]butanediamide
CID 3336715
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide (CID 20910572) is N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc3nc(Nc4cccc(Cl)c4)cc(C)c3c2)cc1.
What is the InChIKey of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ABHGEEPLBHTDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-17-14-25(28-20-5-3-4-19(27)15-20)30-24-12-9-21(16-23(17)24)29-26(31)13-8-18-6-10-22(32-2)11-7-18/h3-7,9-12,14-16H,8,13H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide?
N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 445.95 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-4-methylquinolin-6-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 20910572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).