N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide

C21H27ClN4O — CID 11222925

IUPACN-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
SMILESN[C@@H]1CCN(c2ccc3c(NC(=O)CC4CCCCC4)c(Cl)ccc3n2)C1
InChIInChI=1S/C21H27ClN4O/c22-17-7-8-18-16(6-9-19(24-18)26-11-10-15(23)13-26)21(17)25-20(27)12-14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-13,23H2,(H,25,27)/t15-/m1/s1
InChIKeyPBOHJDQKIYZTLV-OAHLLOKOSA-N
MW386.93 g/mol
LogP4.33
Rot. Bonds4

About N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide

N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide (PubChem CID 11222925) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
PubChem CID11222925
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC NameN-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
SMILESN[C@@H]1CCN(c2ccc3c(NC(=O)CC4CCCCC4)c(Cl)ccc3n2)C1
InChIInChI=1S/C21H27ClN4O/c22-17-7-8-18-16(6-9-19(24-18)26-11-10-15(23)13-26)21(17)25-20(27)12-14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-13,23H2,(H,25,27)/t15-/m1/s1
InChIKeyPBOHJDQKIYZTLV-OAHLLOKOSA-N
XLogP4.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide (CID 11222925) is N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide is N[C@@H]1CCN(c2ccc3c(NC(=O)CC4CCCCC4)c(Cl)ccc3n2)C1.
What is the InChIKey of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide?
The InChIKey is PBOHJDQKIYZTLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27ClN4O/c22-17-7-8-18-16(6-9-19(24-18)26-11-10-15(23)13-26)21(17)25-20(27)12-14-4-2-1-3-5-14/h6-9,14-15H,1-5,10-13,23H2,(H,25,27)/t15-/m1/s1.
What are the key properties of N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide?
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide has a molecular weight of 386.93 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 11222925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).