methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate

C14H15FN2O3 — CID 53063032

IUPACmethyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OC)c(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H15FN2O3/c1-3-6-16-12-9-7-8(15)4-5-10(9)17-13(18)11(12)14(19)20-2/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18)
InChIKeyPBTASEXXYSWXKI-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.28
Rot. Bonds4

About methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate

methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate (PubChem CID 53063032) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate
PubChem CID53063032
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Namemethyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate
SMILESCCCNc1c(C(=O)OC)c(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C14H15FN2O3/c1-3-6-16-12-9-7-8(15)4-5-10(9)17-13(18)11(12)14(19)20-2/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18)
InChIKeyPBTASEXXYSWXKI-UHFFFAOYSA-N
XLogP2.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470
methyl 3-[(2-chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate
CID 934562
methyl 4-(cyclohexylamino)-7-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 97032569
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030
methyl 5-fluoro-3-methoxy-1H-indole-2-carboxylate
CID 146173958
methyl 2-(4-bromophenyl)-5-fluoro-1H-indole-3-carboxylate
CID 172606531
ethyl 6-chloro-4-[(2-fluorophenyl)methylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 50776714
N-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 45258699
methyl 7-fluoro-3,4-dihydropyrrolo[2,3-b]indole-2-carboxylate
CID 141490537
ethyl 4-[2-(dimethylamino)ethylamino]-2-oxo-1H-quinoline-3-carboxylate
CID 913126
ethyl 4-(3-methylbutylamino)-2-oxo-1H-quinoline-3-carboxylate
CID 91901357
methyl 4-amino-6-nitro-2-oxo-1H-quinoline-3-carboxylate
CID 14663488

Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate?
The IUPAC name of methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate (CID 53063032) is methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate.
What is the SMILES notation for methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate?
The canonical SMILES for methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate is CCCNc1c(C(=O)OC)c(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate?
The InChIKey is PBTASEXXYSWXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-3-6-16-12-9-7-8(15)4-5-10(9)17-13(18)11(12)14(19)20-2/h4-5,7H,3,6H2,1-2H3,(H2,16,17,18).
What are the key properties of methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate?
methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate has a molecular weight of 278.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-2-oxo-4-(propylamino)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 53063032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).