4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide

C19H16ClN3O2 — CID 26888649

IUPAC4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C19H16ClN3O2/c20-14-8-6-13(7-9-14)19(25)22-12-10-18(24)23-17-5-1-4-16-15(17)3-2-11-21-16/h1-9,11H,10,12H2,(H,22,25)(H,23,24)
InChIKeyWFXGCZJZASQJKR-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.65
Rot. Bonds5

About 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide

4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide (PubChem CID 26888649) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
PubChem CID26888649
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C19H16ClN3O2/c20-14-8-6-13(7-9-14)19(25)22-12-10-18(24)23-17-5-1-4-16-15(17)3-2-11-21-16/h1-9,11H,10,12H2,(H,22,25)(H,23,24)
InChIKeyWFXGCZJZASQJKR-UHFFFAOYSA-N
XLogP3.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
2-chloro-N-quinolin-5-ylacetamide;hydrochloride
CID 155943918
N-[3-(2-benzylanilino)-3-oxopropyl]-4-chlorobenzamide
CID 2568324
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
2-(2,5-dichlorophenoxy)-N-quinolin-5-ylacetamide
CID 46664559
4-chloro-N-[3-(5-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 24647438
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
(E)-3-(4-chlorophenyl)-N-quinolin-5-ylprop-2-enamide
CID 952560

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide (CID 26888649) is 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc2ncccc12.
What is the InChIKey of 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide?
The InChIKey is WFXGCZJZASQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-14-8-6-13(7-9-14)19(25)22-12-10-18(24)23-17-5-1-4-16-15(17)3-2-11-21-16/h1-9,11H,10,12H2,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide?
4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide has a molecular weight of 353.81 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide is sourced from PubChem (CID 26888649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).