N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide

C21H16ClF6N3O — CID 87205560

IUPACN-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide
SMILESNCCCN(C(=O)c1cccc(C(F)(F)F)c1C(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H16ClF6N3O/c22-12-5-6-13-16(11-12)30-9-7-17(13)31(10-2-8-29)19(32)14-3-1-4-15(20(23,24)25)18(14)21(26,27)28/h1,3-7,9,11H,2,8,10,29H2
InChIKeyGSEUGNHJEGMEJH-UHFFFAOYSA-N
MW475.82 g/mol
LogP5.92
Rot. Bonds5

About N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide

N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide (PubChem CID 87205560) has the molecular formula C21H16ClF6N3O and a molecular weight of 475.82 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide
PubChem CID87205560
Molecular FormulaC21H16ClF6N3O
Molecular Weight475.82 g/mol
Exact Mass475.09
IUPAC NameN-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide
SMILESNCCCN(C(=O)c1cccc(C(F)(F)F)c1C(F)(F)F)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H16ClF6N3O/c22-12-5-6-13-16(11-12)30-9-7-17(13)31(10-2-8-29)19(32)14-3-1-4-15(20(23,24)25)18(14)21(26,27)28/h1,3-7,9,11H,2,8,10,29H2
InChIKeyGSEUGNHJEGMEJH-UHFFFAOYSA-N
XLogP5.92
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.82
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fluopyram
CID 11158353
AV-608
CID 9917079
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
N-{8-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl}-1H-indole-3-carboxamide
CID 11272051
N-{6-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl}-1H-indole-3-carboxamide
CID 11465667
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1H-indole-3-carboxamide
CID 11465956
N-{5-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentyl}-1H-indole-3-carboxamide
CID 11669798
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone
CID 1251584
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
4-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436055

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide (CID 87205560) is N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide is NCCCN(C(=O)c1cccc(C(F)(F)F)c1C(F)(F)F)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide?
The InChIKey is GSEUGNHJEGMEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF6N3O/c22-12-5-6-13-16(11-12)30-9-7-17(13)31(10-2-8-29)19(32)14-3-1-4-15(20(23,24)25)18(14)21(26,27)28/h1,3-7,9,11H,2,8,10,29H2.
What are the key properties of N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide?
N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide has a molecular weight of 475.82 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(7-chloroquinolin-4-yl)-2,3-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 87205560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).