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

C26H24ClN3O — CID 5038067

IUPACN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24ClN3O/c1-30(26(31)21-10-8-20(9-11-21)19-6-3-2-4-7-19)17-5-15-28-24-14-16-29-25-18-22(27)12-13-23(24)25/h2-4,6-14,16,18H,5,15,17H2,1H3,(H,28,29)
InChIKeyKTXHNRVMJKZYHF-UHFFFAOYSA-N
MW429.95 g/mol
LogP6.13
Rot. Bonds7

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

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide (PubChem CID 5038067) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide
PubChem CID5038067
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC NameN-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide
SMILESCN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H24ClN3O/c1-30(26(31)21-10-8-20(9-11-21)19-6-3-2-4-7-19)17-5-15-28-24-14-16-29-25-18-22(27)12-13-23(24)25/h2-4,6-14,16,18H,5,15,17H2,1H3,(H,28,29)
InChIKeyKTXHNRVMJKZYHF-UHFFFAOYSA-N
XLogP6.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 56.13
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-methyl-4-phenylbenzamide?
The IUPAC name of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide (CID 5038067) is N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide.
What is the SMILES notation for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide?
The canonical SMILES for N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide is CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide?
The InChIKey is KTXHNRVMJKZYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-30(26(31)21-10-8-20(9-11-21)19-6-3-2-4-7-19)17-5-15-28-24-14-16-29-25-18-22(27)12-13-23(24)25/h2-4,6-14,16,18H,5,15,17H2,1H3,(H,28,29).
What are the key properties of N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide?
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-4-phenylbenzamide has a molecular weight of 429.95 g/mol, XLogP of 6.13, 7 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-methyl-4-phenylbenzamide is sourced from PubChem (CID 5038067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).