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

C20H29ClN4O — CID 24828281

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H29ClN4O/c1-3-25(4-2)14-10-20(26)24-12-6-5-11-22-18-9-13-23-19-15-16(21)7-8-17(18)19/h7-9,13,15H,3-6,10-12,14H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyNJDJTPAQLHEPTC-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.93
Rot. Bonds11

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

N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide (PubChem CID 24828281) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide
PubChem CID24828281
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide
SMILESCCN(CC)CCC(=O)NCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C20H29ClN4O/c1-3-25(4-2)14-10-20(26)24-12-6-5-11-22-18-9-13-23-19-15-16(21)7-8-17(18)19/h7-9,13,15H,3-6,10-12,14H2,1-2H3,(H,22,23)(H,24,26)
InChIKeyNJDJTPAQLHEPTC-UHFFFAOYSA-N
XLogP3.93
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.93
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-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide (CID 24828281) is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide is CCN(CC)CCC(=O)NCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide?
The InChIKey is NJDJTPAQLHEPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-3-25(4-2)14-10-20(26)24-12-6-5-11-22-18-9-13-23-19-15-16(21)7-8-17(18)19/h7-9,13,15H,3-6,10-12,14H2,1-2H3,(H,22,23)(H,24,26).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide?
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide has a molecular weight of 376.93 g/mol, XLogP of 3.93, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(diethylamino)propanamide is sourced from PubChem (CID 24828281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).