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

C20H20Cl2N2O2 — CID 155516172

IUPAC4-cyclopropyl-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(C2CC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C20H20Cl2N2O2/c1-10-17(20(26)24-15-9-12(21)7-8-13(15)22)18(11-5-6-11)19-14(23-10)3-2-4-16(19)25/h7-9,11,18,23H,2-6H2,1H3,(H,24,26)
InChIKeyRCGRAAAGKIIADZ-UHFFFAOYSA-N
MW391.30 g/mol
LogP4.84
Rot. Bonds3

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

4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155516172) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155516172
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name4-cyclopropyl-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(C2CC2)C2=C(CCCC2=O)N1
InChIInChI=1S/C20H20Cl2N2O2/c1-10-17(20(26)24-15-9-12(21)7-8-13(15)22)18(11-5-6-11)19-14(23-10)3-2-4-16(19)25/h7-9,11,18,23H,2-6H2,1H3,(H,24,26)
InChIKeyRCGRAAAGKIIADZ-UHFFFAOYSA-N
XLogP4.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155516172) is 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-cyclopropyl-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(C2CC2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is RCGRAAAGKIIADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-10-17(20(26)24-15-9-12(21)7-8-13(15)22)18(11-5-6-11)19-14(23-10)3-2-4-16(19)25/h7-9,11,18,23H,2-6H2,1H3,(H,24,26).
What are the key properties of 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 391.30 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-(2,5-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155516172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).