N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide

C25H27ClN2O3 — CID 134537306

IUPACN-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CCC(O)CC2)c2cc(C(=O)N(C)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H27ClN2O3/c1-3-28-23-13-6-17(25(31)27(2)19-9-7-18(26)8-10-19)14-22(23)21(15-24(28)30)16-4-11-20(29)12-5-16/h6-10,13-16,20,29H,3-5,11-12H2,1-2H3
InChIKeyZETWERLLPGUGIV-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.97
Rot. Bonds4

About N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide

N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide (PubChem CID 134537306) has the molecular formula C25H27ClN2O3 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide
PubChem CID134537306
Molecular FormulaC25H27ClN2O3
Molecular Weight438.96 g/mol
Exact Mass438.17
IUPAC NameN-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide
SMILESCCn1c(=O)cc(C2CCC(O)CC2)c2cc(C(=O)N(C)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C25H27ClN2O3/c1-3-28-23-13-6-17(25(31)27(2)19-9-7-18(26)8-10-19)14-22(23)21(15-24(28)30)16-4-11-20(29)12-5-16/h6-10,13-16,20,29H,3-5,11-12H2,1-2H3
InChIKeyZETWERLLPGUGIV-UHFFFAOYSA-N
XLogP4.97
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide (CID 134537306) is N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide is CCn1c(=O)cc(C2CCC(O)CC2)c2cc(C(=O)N(C)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide?
The InChIKey is ZETWERLLPGUGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3/c1-3-28-23-13-6-17(25(31)27(2)19-9-7-18(26)8-10-19)14-22(23)21(15-24(28)30)16-4-11-20(29)12-5-16/h6-10,13-16,20,29H,3-5,11-12H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide?
N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethyl-4-(4-hydroxycyclohexyl)-N-methyl-2-oxoquinoline-6-carboxamide is sourced from PubChem (CID 134537306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).