N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide

C22H24FN3O2 — CID 46998599

IUPACN-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccccc1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C22H24FN3O2/c1-15-6-4-5-7-16(15)14-26(11-10-25(2)3)22(28)19-13-21(27)24-20-9-8-17(23)12-18(19)20/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,27)
InChIKeyQLZLROLLFSTPNB-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.18
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 46998599) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID46998599
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCc1ccccc1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C22H24FN3O2/c1-15-6-4-5-7-16(15)14-26(11-10-25(2)3)22(28)19-13-21(27)24-20-9-8-17(23)12-18(19)20/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,27)
InChIKeyQLZLROLLFSTPNB-UHFFFAOYSA-N
XLogP3.18
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 46998599) is N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide is Cc1ccccc1CN(CCN(C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is QLZLROLLFSTPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-6-4-5-7-16(15)14-26(11-10-25(2)3)22(28)19-13-21(27)24-20-9-8-17(23)12-18(19)20/h4-9,12-13H,10-11,14H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 46998599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).