N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C30H27ClN2O3 — CID 58859906

IUPACN-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21
InChIInChI=1S/C30H27ClN2O3/c1-3-29(34)33(23-9-5-4-6-10-23)26-19-20(2)32(25-12-8-7-11-24(25)26)30(35)28-18-17-27(36-28)21-13-15-22(31)16-14-21/h4-18,20,26H,3,19H2,1-2H3
InChIKeyDOWSBVXBIWYIQH-UHFFFAOYSA-N
MW499.01 g/mol
LogP7.52
Rot. Bonds5

About N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 58859906) has the molecular formula C30H27ClN2O3 and a molecular weight of 499.01 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID58859906
Molecular FormulaC30H27ClN2O3
Molecular Weight499.01 g/mol
Exact Mass498.17
IUPAC NameN-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21
InChIInChI=1S/C30H27ClN2O3/c1-3-29(34)33(23-9-5-4-6-10-23)26-19-20(2)32(25-12-8-7-11-24(25)26)30(35)28-18-17-27(36-28)21-13-15-22(31)16-14-21/h4-18,20,26H,3,19H2,1-2H3
InChIKeyDOWSBVXBIWYIQH-UHFFFAOYSA-N
XLogP7.52
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.01
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 58859906) is N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c2ccccc21.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is DOWSBVXBIWYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN2O3/c1-3-29(34)33(23-9-5-4-6-10-23)26-19-20(2)32(25-12-8-7-11-24(25)26)30(35)28-18-17-27(36-28)21-13-15-22(31)16-14-21/h4-18,20,26H,3,19H2,1-2H3.
What are the key properties of N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 499.01 g/mol, XLogP of 7.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)furan-2-carbonyl]-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 58859906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).