N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide

C27H41N3O3 — CID 58376528

IUPACN-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide
SMILESCCC(=O)NCCN1C(=O)C(C)(C)Cc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21
InChIInChI=1S/C27H41N3O3/c1-7-24(31)28-13-14-29-23-16-22(19(4)15-20(23)17-27(5,6)26(29)33)25(32)30(18(2)3)21-11-9-8-10-12-21/h15-16,18,21H,7-14,17H2,1-6H3,(H,28,31)
InChIKeyUAYAPOYIHGNILG-UHFFFAOYSA-N
MW455.64 g/mol
LogP4.62
Rot. Bonds7

About N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide

N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide (PubChem CID 58376528) has the molecular formula C27H41N3O3 and a molecular weight of 455.64 g/mol. Its IUPAC name is N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide
PubChem CID58376528
Molecular FormulaC27H41N3O3
Molecular Weight455.64 g/mol
Exact Mass455.31
IUPAC NameN-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide
SMILESCCC(=O)NCCN1C(=O)C(C)(C)Cc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21
InChIInChI=1S/C27H41N3O3/c1-7-24(31)28-13-14-29-23-16-22(19(4)15-20(23)17-27(5,6)26(29)33)25(32)30(18(2)3)21-11-9-8-10-12-21/h15-16,18,21H,7-14,17H2,1-6H3,(H,28,31)
InChIKeyUAYAPOYIHGNILG-UHFFFAOYSA-N
XLogP4.62
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.64
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide?
The IUPAC name of N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide (CID 58376528) is N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide.
What is the SMILES notation for N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide?
The canonical SMILES for N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide is CCC(=O)NCCN1C(=O)C(C)(C)Cc2cc(C)c(C(=O)N(C(C)C)C3CCCCC3)cc21.
What is the InChIKey of N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide?
The InChIKey is UAYAPOYIHGNILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O3/c1-7-24(31)28-13-14-29-23-16-22(19(4)15-20(23)17-27(5,6)26(29)33)25(32)30(18(2)3)21-11-9-8-10-12-21/h15-16,18,21H,7-14,17H2,1-6H3,(H,28,31).
What are the key properties of N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide?
N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide has a molecular weight of 455.64 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,3,6-trimethyl-2-oxo-1-[2-(propanoylamino)ethyl]-N-propan-2-yl-4H-quinoline-7-carboxamide is sourced from PubChem (CID 58376528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).