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

C19H27NO2 — CID 22091360

IUPACethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate
SMILESCCOC(=O)/C=C(/CC)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C19H27NO2/c1-5-15(13-19(21)22-6-2)16-9-10-18-17(12-16)8-7-11-20(18)14(3)4/h9-10,12-14H,5-8,11H2,1-4H3/b15-13-
InChIKeyHMCJFWWAYCNTOB-SQFISAMPSA-N
MW301.43 g/mol
LogP4.20
Rot. Bonds5

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

ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate (PubChem CID 22091360) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate
PubChem CID22091360
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Nameethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate
SMILESCCOC(=O)/C=C(/CC)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C19H27NO2/c1-5-15(13-19(21)22-6-2)16-9-10-18-17(12-16)8-7-11-20(18)14(3)4/h9-10,12-14H,5-8,11H2,1-4H3/b15-13-
InChIKeyHMCJFWWAYCNTOB-SQFISAMPSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 54.20
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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Related Compounds

ethyl (2E,4E,6E)-7-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoate
CID 15458564
ethyl 2-fluoro-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate
CID 54325239
methyl (2E,4E,6E)-6-fluoro-3-methyl-7-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)nona-2,4,6-trienoate
CID 10595426
ethyl 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)-2H-triazole-4-carboxylate
CID 169400109
5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal
CID 54148633
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
methyl (2E,4E,6E)-6-fluoro-3-methyl-7-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)octa-2,4,6-trienoate
CID 22091391
(E)-3-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]pent-2-enoic acid
CID 110447148
1-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)propan-1-one
CID 39104414
(2E,4E,6E)-6-fluoro-3-methyl-7-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)octa-2,4,6-trienoic acid
CID 18466671
(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate?
The IUPAC name of ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate (CID 22091360) is ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate?
The canonical SMILES for ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate is CCOC(=O)/C=C(/CC)c1ccc2c(c1)CCCN2C(C)C.
What is the InChIKey of ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate?
The InChIKey is HMCJFWWAYCNTOB-SQFISAMPSA-N. The full InChI is InChI=1S/C19H27NO2/c1-5-15(13-19(21)22-6-2)16-9-10-18-17(12-16)8-7-11-20(18)14(3)4/h9-10,12-14H,5-8,11H2,1-4H3/b15-13-.
What are the key properties of ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate?
ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate has a molecular weight of 301.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate is sourced from PubChem (CID 22091360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).