N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide

C20H26ClN3O2 — CID 11441307

IUPACN-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(NCCCO)ccc12
InChIInChI=1S/C20H26ClN3O2/c21-16-8-9-17-15(7-10-18(23-17)22-11-4-12-25)20(16)24-19(26)13-14-5-2-1-3-6-14/h7-10,14,25H,1-6,11-13H2,(H,22,23)(H,24,26)
InChIKeyKEVPDIFYRCNXJS-UHFFFAOYSA-N
MW375.90 g/mol
LogP4.59
Rot. Bonds7

About N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide

N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide (PubChem CID 11441307) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide
PubChem CID11441307
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(NCCCO)ccc12
InChIInChI=1S/C20H26ClN3O2/c21-16-8-9-17-15(7-10-18(23-17)22-11-4-12-25)20(16)24-19(26)13-14-5-2-1-3-6-14/h7-10,14,25H,1-6,11-13H2,(H,22,23)(H,24,26)
InChIKeyKEVPDIFYRCNXJS-UHFFFAOYSA-N
XLogP4.59
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide (CID 11441307) is N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(NCCCO)ccc12.
What is the InChIKey of N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide?
The InChIKey is KEVPDIFYRCNXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c21-16-8-9-17-15(7-10-18(23-17)22-11-4-12-25)20(16)24-19(26)13-14-5-2-1-3-6-14/h7-10,14,25H,1-6,11-13H2,(H,22,23)(H,24,26).
What are the key properties of N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide?
N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide has a molecular weight of 375.90 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(3-hydroxypropylamino)quinolin-5-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 11441307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).