1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate

C16H17FN2O3 — CID 75518650

IUPAC1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate
SMILESCC(=O)NCC(C)OC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C16H17FN2O3/c1-9-6-14(13-5-4-12(17)7-15(13)19-9)16(21)22-10(2)8-18-11(3)20/h4-7,10H,8H2,1-3H3,(H,18,20)
InChIKeyXSZOWGRFYWWQRX-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.36
Rot. Bonds4

About 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate

1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate (PubChem CID 75518650) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate
PubChem CID75518650
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate
SMILESCC(=O)NCC(C)OC(=O)c1cc(C)nc2cc(F)ccc12
InChIInChI=1S/C16H17FN2O3/c1-9-6-14(13-5-4-12(17)7-15(13)19-9)16(21)22-10(2)8-18-11(3)20/h4-7,10H,8H2,1-3H3,(H,18,20)
InChIKeyXSZOWGRFYWWQRX-UHFFFAOYSA-N
XLogP2.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate?
The IUPAC name of 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate (CID 75518650) is 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate.
What is the SMILES notation for 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate?
The canonical SMILES for 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate is CC(=O)NCC(C)OC(=O)c1cc(C)nc2cc(F)ccc12.
What is the InChIKey of 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate?
The InChIKey is XSZOWGRFYWWQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-9-6-14(13-5-4-12(17)7-15(13)19-9)16(21)22-10(2)8-18-11(3)20/h4-7,10H,8H2,1-3H3,(H,18,20).
What are the key properties of 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate?
1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate has a molecular weight of 304.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamidopropan-2-yl 7-fluoro-2-methylquinoline-4-carboxylate is sourced from PubChem (CID 75518650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).