6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

C19H23FN2O3 — CID 154799878

IUPAC6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(F)cc2c(=O)c(C(=O)NC(C)(C)C3CCOCC3)c[nH]c12
InChIInChI=1S/C19H23FN2O3/c1-11-8-13(20)9-14-16(11)21-10-15(17(14)23)18(24)22-19(2,3)12-4-6-25-7-5-12/h8-10,12H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHCVUGRKHDVCQRY-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.91
Rot. Bonds3

About 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide

6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 154799878) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID154799878
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1cc(F)cc2c(=O)c(C(=O)NC(C)(C)C3CCOCC3)c[nH]c12
InChIInChI=1S/C19H23FN2O3/c1-11-8-13(20)9-14-16(11)21-10-15(17(14)23)18(24)22-19(2,3)12-4-6-25-7-5-12/h8-10,12H,4-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyHCVUGRKHDVCQRY-UHFFFAOYSA-N
XLogP2.91
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide (CID 154799878) is 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is Cc1cc(F)cc2c(=O)c(C(=O)NC(C)(C)C3CCOCC3)c[nH]c12.
What is the InChIKey of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is HCVUGRKHDVCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-11-8-13(20)9-14-16(11)21-10-15(17(14)23)18(24)22-19(2,3)12-4-6-25-7-5-12/h8-10,12H,4-7H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide?
6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 154799878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).