N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide

C19H24N2O2 — CID 891858

IUPACN-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide
SMILESCC(C)Oc1cc(C(=O)NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C19H24N2O2/c1-13(2)23-18-12-16(15-10-6-7-11-17(15)21-18)19(22)20-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyZNJXIPDDWBGKSQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.08
Rot. Bonds4

About N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide

N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide (PubChem CID 891858) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide
PubChem CID891858
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide
SMILESCC(C)Oc1cc(C(=O)NC2CCCCC2)c2ccccc2n1
InChIInChI=1S/C19H24N2O2/c1-13(2)23-18-12-16(15-10-6-7-11-17(15)21-18)19(22)20-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyZNJXIPDDWBGKSQ-UHFFFAOYSA-N
XLogP4.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide (CID 891858) is N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide is CC(C)Oc1cc(C(=O)NC2CCCCC2)c2ccccc2n1.
What is the InChIKey of N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide?
The InChIKey is ZNJXIPDDWBGKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)23-18-12-16(15-10-6-7-11-17(15)21-18)19(22)20-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide?
N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-propan-2-yloxyquinoline-4-carboxamide is sourced from PubChem (CID 891858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).