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

C16H20ClN3O — CID 42743622

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3O/c1-3-16(21)20(2)10-4-8-18-14-7-9-19-15-11-12(17)5-6-13(14)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyPEPPRIANRLGHDW-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.56
Rot. Bonds6

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

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide (PubChem CID 42743622) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide
PubChem CID42743622
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3O/c1-3-16(21)20(2)10-4-8-18-14-7-9-19-15-11-12(17)5-6-13(14)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19)
InChIKeyPEPPRIANRLGHDW-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.56
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-methylpropanamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide (CID 42743622) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide is CCC(=O)N(C)CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide?
The InChIKey is PEPPRIANRLGHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-16(21)20(2)10-4-8-18-14-7-9-19-15-11-12(17)5-6-13(14)15/h5-7,9,11H,3-4,8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylpropanamide has a molecular weight of 305.81 g/mol, XLogP of 3.56, 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-methylpropanamide is sourced from PubChem (CID 42743622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).