4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

C24H26ClFN6O2 — CID 130244293

IUPAC4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2cc(C3=Cc4cc(F)c(Cl)cc4NC3O)nn2)cc1
InChIInChI=1S/C24H26ClFN6O2/c1-3-31(4-2)10-9-27-23(33)15-5-7-17(8-6-15)32-14-22(29-30-32)18-11-16-12-20(26)19(25)13-21(16)28-24(18)34/h5-8,11-14,24,28,34H,3-4,9-10H2,1-2H3,(H,27,33)
InChIKeyKHEOWQKNHRPLFW-UHFFFAOYSA-N
MW484.96 g/mol
LogP3.42
Rot. Bonds8

About 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide

4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 130244293) has the molecular formula C24H26ClFN6O2 and a molecular weight of 484.96 g/mol. Its IUPAC name is 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID130244293
Molecular FormulaC24H26ClFN6O2
Molecular Weight484.96 g/mol
Exact Mass484.18
IUPAC Name4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(-n2cc(C3=Cc4cc(F)c(Cl)cc4NC3O)nn2)cc1
InChIInChI=1S/C24H26ClFN6O2/c1-3-31(4-2)10-9-27-23(33)15-5-7-17(8-6-15)32-14-22(29-30-32)18-11-16-12-20(26)19(25)13-21(16)28-24(18)34/h5-8,11-14,24,28,34H,3-4,9-10H2,1-2H3,(H,27,33)
InChIKeyKHEOWQKNHRPLFW-UHFFFAOYSA-N
XLogP3.42
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-aminoquinolin-4-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 134276602
N-[3-(diethylamino)propyl]-4-[4-(3,4-dihydroxyphenyl)triazol-1-yl]benzamide
CID 142609806
N-[2-(diethylamino)ethyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 86985554
4-[(3-chloro-4-fluorophenyl)carbamothioylamino]-N-[2-(diethylamino)ethyl]benzamide
CID 21008701
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
CID 107019684
4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-N-[2-(diethylamino)ethyl]benzamide
CID 4915131
1-(3-chloro-4-methylphenyl)-N-[2-(diethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 46858143
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
N-[2-(diethylamino)ethyl]-4-[6-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]pyrimidin-4-yl]benzamide
CID 11081863
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide (CID 130244293) is 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(-n2cc(C3=Cc4cc(F)c(Cl)cc4NC3O)nn2)cc1.
What is the InChIKey of 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is KHEOWQKNHRPLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN6O2/c1-3-31(4-2)10-9-27-23(33)15-5-7-17(8-6-15)32-14-22(29-30-32)18-11-16-12-20(26)19(25)13-21(16)28-24(18)34/h5-8,11-14,24,28,34H,3-4,9-10H2,1-2H3,(H,27,33).
What are the key properties of 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide?
4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 484.96 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-chloro-6-fluoro-2-hydroxy-1,2-dihydroquinolin-3-yl)triazol-1-yl]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 130244293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).