5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal

C18H23NO — CID 54148633

IUPAC5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal
SMILESCC(=CC=CC=O)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C18H23NO/c1-14(2)19-11-6-8-17-13-16(9-10-18(17)19)15(3)7-4-5-12-20/h4-5,7,9-10,12-14H,6,8,11H2,1-3H3
InChIKeyOGDYTHHEYLEMQB-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.01
Rot. Bonds4

About 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal

5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal (PubChem CID 54148633) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal.

Molecular Properties

Compound Name5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal
PubChem CID54148633
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal
SMILESCC(=CC=CC=O)c1ccc2c(c1)CCCN2C(C)C
InChIInChI=1S/C18H23NO/c1-14(2)19-11-6-8-17-13-16(9-10-18(17)19)15(3)7-4-5-12-20/h4-5,7,9-10,12-14H,6,8,11H2,1-3H3
InChIKeyOGDYTHHEYLEMQB-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
(E)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-7-yl)but-2-enoate
CID 18466796
1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 146522036
(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
ethyl 2-fluoro-3-(1-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepin-7-yl)but-2-enoate
CID 54325239
ethyl (Z)-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)pent-2-enoate
CID 22091360
3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoic acid
CID 54052728
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
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
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
methyl 3-methyl-7-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)octa-2,4,6-trienoate
CID 54007098
2-(6-bromo-3,4-dihydro-2H-quinolin-1-yl)propanal
CID 174512252

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal?
The IUPAC name of 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal (CID 54148633) is 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal.
What is the SMILES notation for 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal?
The canonical SMILES for 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal is CC(=CC=CC=O)c1ccc2c(c1)CCCN2C(C)C.
What is the InChIKey of 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal?
The InChIKey is OGDYTHHEYLEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)19-11-6-8-17-13-16(9-10-18(17)19)15(3)7-4-5-12-20/h4-5,7,9-10,12-14H,6,8,11H2,1-3H3.
What are the key properties of 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal?
5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal has a molecular weight of 269.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal is sourced from PubChem (CID 54148633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).