4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C22H24Cl2N2O2 — CID 155546001

IUPAC4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(C2CCCC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H24Cl2N2O2/c1-12-19(22(28)26-17-11-14(23)9-10-15(17)24)20(13-5-2-3-6-13)21-16(25-12)7-4-8-18(21)27/h9-11,13,20,25H,2-8H2,1H3,(H,26,28)
InChIKeyVYVLVKWKYPVYCT-UHFFFAOYSA-N
MW419.35 g/mol
LogP5.62
Rot. Bonds3

About 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155546001) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155546001
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(C2CCCC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H24Cl2N2O2/c1-12-19(22(28)26-17-11-14(23)9-10-15(17)24)20(13-5-2-3-6-13)21-16(25-12)7-4-8-18(21)27/h9-11,13,20,25H,2-8H2,1H3,(H,26,28)
InChIKeyVYVLVKWKYPVYCT-UHFFFAOYSA-N
XLogP5.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.35
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155546001) is 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2cc(Cl)ccc2Cl)C(C2CCCC2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is VYVLVKWKYPVYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c1-12-19(22(28)26-17-11-14(23)9-10-15(17)24)20(13-5-2-3-6-13)21-16(25-12)7-4-8-18(21)27/h9-11,13,20,25H,2-8H2,1H3,(H,26,28).
What are the key properties of 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 419.35 g/mol, XLogP of 5.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155546001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).