N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

C20H20FN3O — CID 2333756

IUPACN-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H20FN3O/c1-24(2)12-11-22-20(25)17-13-19(14-7-9-15(21)10-8-14)23-18-6-4-3-5-16(17)18/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyXFZJNLQEZCIHAV-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (PubChem CID 2333756) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
PubChem CID2333756
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H20FN3O/c1-24(2)12-11-22-20(25)17-13-19(14-7-9-15(21)10-8-14)23-18-6-4-3-5-16(17)18/h3-10,13H,11-12H2,1-2H3,(H,22,25)
InChIKeyXFZJNLQEZCIHAV-UHFFFAOYSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[[2-(4-fluorophenyl)quinoline-4-carbonyl]amino]thiourea
CID 8628003
N-[2-(dimethylamino)ethyl]-2-(4-propylphenyl)quinoline-4-carboxamide
CID 1261381
2-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-4-carboxamide
CID 2367409
N-[3-(dimethylamino)propyl]-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 3471977
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
CID 2322323
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide (CID 2333756) is N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
The InChIKey is XFZJNLQEZCIHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-24(2)12-11-22-20(25)17-13-19(14-7-9-15(21)10-8-14)23-18-6-4-3-5-16(17)18/h3-10,13H,11-12H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2333756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).