N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide

C20H23FN2O3 — CID 154844616

IUPACN-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCCC(NC(=O)c1cc(=O)[nH]c2c1CCCC2)C(O)c1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-2-16(19(25)13-8-3-5-9-15(13)21)23-20(26)14-11-18(24)22-17-10-6-4-7-12(14)17/h3,5,8-9,11,16,19,25H,2,4,6-7,10H2,1H3,(H,22,24)(H,23,26)
InChIKeyNXYMTZXGDWDILJ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.63
Rot. Bonds5

About N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide

N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide (PubChem CID 154844616) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide
PubChem CID154844616
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide
SMILESCCC(NC(=O)c1cc(=O)[nH]c2c1CCCC2)C(O)c1ccccc1F
InChIInChI=1S/C20H23FN2O3/c1-2-16(19(25)13-8-3-5-9-15(13)21)23-20(26)14-11-18(24)22-17-10-6-4-7-12(14)17/h3,5,8-9,11,16,19,25H,2,4,6-7,10H2,1H3,(H,22,24)(H,23,26)
InChIKeyNXYMTZXGDWDILJ-UHFFFAOYSA-N
XLogP2.63
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide (CID 154844616) is N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide is CCC(NC(=O)c1cc(=O)[nH]c2c1CCCC2)C(O)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide?
The InChIKey is NXYMTZXGDWDILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-2-16(19(25)13-8-3-5-9-15(13)21)23-20(26)14-11-18(24)22-17-10-6-4-7-12(14)17/h3,5,8-9,11,16,19,25H,2,4,6-7,10H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide?
N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-1-hydroxybutan-2-yl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 154844616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).