N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide

C18H24ClN3O — CID 42743624

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C(C)(C)C
InChIInChI=1S/C18H24ClN3O/c1-18(2,3)17(23)22(4)11-5-9-20-15-8-10-21-16-12-13(19)6-7-14(15)16/h6-8,10,12H,5,9,11H2,1-4H3,(H,20,21)
InChIKeyADQBNBBCDLQXPG-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.19
Rot. Bonds5

About N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide (PubChem CID 42743624) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide
PubChem CID42743624
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C(C)(C)C
InChIInChI=1S/C18H24ClN3O/c1-18(2,3)17(23)22(4)11-5-9-20-15-8-10-21-16-12-13(19)6-7-14(15)16/h6-8,10,12H,5,9,11H2,1-4H3,(H,20,21)
InChIKeyADQBNBBCDLQXPG-UHFFFAOYSA-N
XLogP4.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.19
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,2,2-trimethylpropanamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide (CID 42743624) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide is CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)C(C)(C)C.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide?
The InChIKey is ADQBNBBCDLQXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-18(2,3)17(23)22(4)11-5-9-20-15-8-10-21-16-12-13(19)6-7-14(15)16/h6-8,10,12H,5,9,11H2,1-4H3,(H,20,21).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N,2,2-trimethylpropanamide has a molecular weight of 333.86 g/mol, XLogP of 4.19, 5 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,2,2-trimethylpropanamide is sourced from PubChem (CID 42743624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).