3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide

C22H23FN4O3 — CID 155589240

IUPAC3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide
SMILESCCC(O)CNC(=O)Nc1ccc2nc(C)c(-c3ccccc3F)c(C(N)=O)c2c1
InChIInChI=1S/C22H23FN4O3/c1-3-14(28)11-25-22(30)27-13-8-9-18-16(10-13)20(21(24)29)19(12(2)26-18)15-6-4-5-7-17(15)23/h4-10,14,28H,3,11H2,1-2H3,(H2,24,29)(H2,25,27,30)
InChIKeyKUTYLYKANLSKCZ-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.34
Rot. Bonds6

About 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide

3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide (PubChem CID 155589240) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide
PubChem CID155589240
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide
SMILESCCC(O)CNC(=O)Nc1ccc2nc(C)c(-c3ccccc3F)c(C(N)=O)c2c1
InChIInChI=1S/C22H23FN4O3/c1-3-14(28)11-25-22(30)27-13-8-9-18-16(10-13)20(21(24)29)19(12(2)26-18)15-6-4-5-7-17(15)23/h4-10,14,28H,3,11H2,1-2H3,(H2,24,29)(H2,25,27,30)
InChIKeyKUTYLYKANLSKCZ-UHFFFAOYSA-N
XLogP3.34
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,3-bis(2-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
CID 155589332
1-[3-(2-fluorophenyl)-2-(4-fluorophenyl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
CID 155589258
6-chloro-4-(2-fluorophenyl)-2-methylquinoline-3-carboxamide
CID 4787383
1-butyl-3-[3-(2-fluorophenyl)-2-methylquinolin-6-yl]urea
CID 155589229
1-(6,7-diphenyl-1,5-naphthyridin-2-yl)-3-(2-hydroxybutyl)urea
CID 155589157
2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
CID 65222360
1-[2,3-bis(2-oxo-1H-pyridin-4-yl)quinolin-6-yl]-3-(2-hydroxybutyl)urea
CID 155589318
N'-[4-amino-2-(2-fluorophenyl)quinolin-6-yl]acetohydrazide
CID 18439821
1-(2,3-dimethylquinoxalin-6-yl)-3-(4-phenylbutyl)urea
CID 108885753
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
1-(3-fluorophenyl)-3-(2-hydroxypentyl)urea
CID 111119363
1-(1,2,3-benzothiadiazol-6-yl)-3-(2-hydroxy-2-phenylethyl)urea
CID 71583505

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide (CID 155589240) is 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide is CCC(O)CNC(=O)Nc1ccc2nc(C)c(-c3ccccc3F)c(C(N)=O)c2c1.
What is the InChIKey of 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide?
The InChIKey is KUTYLYKANLSKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-3-14(28)11-25-22(30)27-13-8-9-18-16(10-13)20(21(24)29)19(12(2)26-18)15-6-4-5-7-17(15)23/h4-10,14,28H,3,11H2,1-2H3,(H2,24,29)(H2,25,27,30).
What are the key properties of 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide?
3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-(2-hydroxybutylcarbamoylamino)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 155589240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).