N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide

C18H25ClN4O — CID 24828279

IUPACN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN4O/c1-3-23(4-2)12-8-18(24)22-11-10-21-16-7-9-20-17-13-14(19)5-6-15(16)17/h5-7,9,13H,3-4,8,10-12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyYFDBFXYVTRWXAE-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.15
Rot. Bonds9

About N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide

N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide (PubChem CID 24828279) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide
PubChem CID24828279
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC NameN-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN4O/c1-3-23(4-2)12-8-18(24)22-11-10-21-16-7-9-20-17-13-14(19)5-6-15(16)17/h5-7,9,13H,3-4,8,10-12H2,1-2H3,(H,20,21)(H,22,24)
InChIKeyYFDBFXYVTRWXAE-UHFFFAOYSA-N
XLogP3.15
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.15
H-Bond Donors ≤ 52
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-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide?
The IUPAC name of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide (CID 24828279) is N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide.
What is the SMILES notation for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide?
The canonical SMILES for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide is CCN(CC)CCC(=O)NCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide?
The InChIKey is YFDBFXYVTRWXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-3-23(4-2)12-8-18(24)22-11-10-21-16-7-9-20-17-13-14(19)5-6-15(16)17/h5-7,9,13H,3-4,8,10-12H2,1-2H3,(H,20,21)(H,22,24).
What are the key properties of N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide?
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide has a molecular weight of 348.88 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-3-(diethylamino)propanamide is sourced from PubChem (CID 24828279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).