ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate

C18H24FNO2 — CID 54108510

IUPACethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate
SMILESCCOC(=O)C(F)=C(C)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C18H24FNO2/c1-5-22-18(21)17(19)13(4)14-8-9-16-15(11-14)7-6-10-20(16)12(2)3/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyNFKUVENFXSYWCW-UHFFFAOYSA-N
MW305.39 g/mol
LogP4.11
Rot. Bonds4

About ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate

ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate (PubChem CID 54108510) has the molecular formula C18H24FNO2 and a molecular weight of 305.39 g/mol. Its IUPAC name is ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate.

Molecular Properties

Compound Nameethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate
PubChem CID54108510
Molecular FormulaC18H24FNO2
Molecular Weight305.39 g/mol
Exact Mass305.18
IUPAC Nameethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate
SMILESCCOC(=O)C(F)=C(C)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C18H24FNO2/c1-5-22-18(21)17(19)13(4)14-8-9-16-15(11-14)7-6-10-20(16)12(2)3/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyNFKUVENFXSYWCW-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

ethyl (E)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enoate
CID 794523
(E,E,E)-7-[1-(1-Methylethyl)-1,2,3,4-tetrahydroquinolin-6-yl]-3-methyl-octa-2,4,6-trienoic acid
CID 10687534
(2E,4E,6Z)-6-fluoro-3-methyl-7-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoic acid
CID 15871168
(2E,4E,6Z)-6-fluoro-3-methyl-7-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)deca-2,4,6-trienoic acid
CID 44339328
(2E,4E,6Z)-6-fluoro-3-methyl-7-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)nona-2,4,6-trienoic acid
CID 44339329
(2E,4E,6Z)-6-fluoro-3-methyl-7-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)undeca-2,4,6-trienoic acid
CID 44339519
(2E,4E,6E)-3-Methyl-6-fluoro-7-[(1-isopropyl-1,2,3,4-tetrahydroquinoline)-6-yl]-2,4,6-nonatrienoic acid
CID 10360989
diethyl 2-[(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methylidene]propanedioate
CID 54466377
Ethyl (2E)-3-[4-(diethylamino)phenyl]prop-2-enoate
CID 14173852
dimethyl 2-(1,2,2,6-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
CID 2871786
diethyl (3,4-dihydroquinolin-1(2H)-ylmethylidene)propanedioate
CID 258635
3,4-Dihydro-2,2,4-trimethyl-2H-quinoline-1-ethyl acetate
CID 3017456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate?
The IUPAC name of ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate (CID 54108510) is ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate.
What is the SMILES notation for ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate?
The canonical SMILES for ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate is CCOC(=O)C(F)=C(C)c1ccc2c(c1)CCCN2C(C)C.
What is the InChIKey of ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate?
The InChIKey is NFKUVENFXSYWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO2/c1-5-22-18(21)17(19)13(4)14-8-9-16-15(11-14)7-6-10-20(16)12(2)3/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate?
ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate has a molecular weight of 305.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)but-2-enoate is sourced from PubChem (CID 54108510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).