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

C18H24ClN3O — CID 20753586

IUPACN-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCC(=O)N(CCN(CC)CC)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O/c1-4-18(23)22(12-11-21(5-2)6-3)17-9-10-20-16-13-14(19)7-8-15(16)17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyWSUWBWSOZSROOQ-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.97
Rot. Bonds7

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

N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 20753586) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound NameN-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
PubChem CID20753586
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC NameN-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide
SMILESCCC(=O)N(CCN(CC)CC)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C18H24ClN3O/c1-4-18(23)22(12-11-21(5-2)6-3)17-9-10-20-16-13-14(19)7-8-15(16)17/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyWSUWBWSOZSROOQ-UHFFFAOYSA-N
XLogP3.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-[3-(diethylamino)propyl]propane-1,3-diamine
CID 66921220
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
N-[2-[2-[acetyl-(7-chloroquinolin-4-yl)amino]ethyl-methylamino]ethyl]-N-(7-methylquinolin-4-yl)acetamide
CID 161124941
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
1-(7-chloroquinolin-4-yl)propan-1-one
CID 139684148
S-(3-nitrosopropyl) N-(7-chloroquinolin-4-yl)-N-[5-(diethylamino)pentan-2-yl]carbamothioate
CID 145307316
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
2-(diethylamino)ethyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 54005492
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
[1-[(7-chloroquinolin-4-yl)-[5-(diethylamino)pentan-2-yl]carbamoyl]oxy-1-phosphonoethyl]phosphonic acid
CID 129120656

Frequently Asked Questions

What is the IUPAC name of N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide (CID 20753586) is N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide is CCC(=O)N(CCN(CC)CC)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is WSUWBWSOZSROOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-4-18(23)22(12-11-21(5-2)6-3)17-9-10-20-16-13-14(19)7-8-15(16)17/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide?
N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 333.86 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloroquinolin-4-yl)-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 20753586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).