N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide

C20H20ClN3O — CID 42743625

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-24(20(25)15-6-3-2-4-7-15)13-5-11-22-18-10-12-23-19-14-16(21)8-9-17(18)19/h2-4,6-10,12,14H,5,11,13H2,1H3,(H,22,23)
InChIKeyBJFXSHTXZJRXBS-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.46
Rot. Bonds6

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide (PubChem CID 42743625) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
PubChem CID42743625
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-24(20(25)15-6-3-2-4-7-15)13-5-11-22-18-10-12-23-19-14-16(21)8-9-17(18)19/h2-4,6-10,12,14H,5,11,13H2,1H3,(H,22,23)
InChIKeyBJFXSHTXZJRXBS-UHFFFAOYSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylbenzamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide (CID 42743625) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide is CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccccc1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide?
The InChIKey is BJFXSHTXZJRXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-24(20(25)15-6-3-2-4-7-15)13-5-11-22-18-10-12-23-19-14-16(21)8-9-17(18)19/h2-4,6-10,12,14H,5,11,13H2,1H3,(H,22,23).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide has a molecular weight of 353.85 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide is sourced from PubChem (CID 42743625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).