N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide

C22H24ClN3O2 — CID 42743664

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)COCc1ccccc1
InChIInChI=1S/C22H24ClN3O2/c1-26(22(27)16-28-15-17-6-3-2-4-7-17)13-5-11-24-20-10-12-25-21-14-18(23)8-9-19(20)21/h2-4,6-10,12,14H,5,11,13,15-16H2,1H3,(H,24,25)
InChIKeyJUVYQSSPPOIVNJ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.37
Rot. Bonds9

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide (PubChem CID 42743664) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide
PubChem CID42743664
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)COCc1ccccc1
InChIInChI=1S/C22H24ClN3O2/c1-26(22(27)16-28-15-17-6-3-2-4-7-17)13-5-11-24-20-10-12-25-21-14-18(23)8-9-19(20)21/h2-4,6-10,12,14H,5,11,13,15-16H2,1H3,(H,24,25)
InChIKeyJUVYQSSPPOIVNJ-UHFFFAOYSA-N
XLogP4.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.37
H-Bond Donors ≤ 51
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-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide (CID 42743664) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide is CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)COCc1ccccc1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide?
The InChIKey is JUVYQSSPPOIVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-26(22(27)16-28-15-17-6-3-2-4-7-17)13-5-11-24-20-10-12-25-21-14-18(23)8-9-19(20)21/h2-4,6-10,12,14H,5,11,13,15-16H2,1H3,(H,24,25).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide has a molecular weight of 397.91 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylmethoxyacetamide is sourced from PubChem (CID 42743664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).