1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline

C19H25NOS — CID 156877944

IUPAC1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline
SMILESC=C(/C=C\C(=C/C)C(C)C)S(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H25NOS/c1-5-17(15(2)3)13-12-16(4)22(21)20-14-8-10-18-9-6-7-11-19(18)20/h5-7,9,11-13,15H,4,8,10,14H2,1-3H3/b13-12-,17-5+
InChIKeyHIZZKWNUPSMVAR-OAVBNREASA-N
MW315.48 g/mol
LogP4.78
Rot. Bonds5

About 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline

1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline (PubChem CID 156877944) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline
PubChem CID156877944
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline
SMILESC=C(/C=C\C(=C/C)C(C)C)S(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H25NOS/c1-5-17(15(2)3)13-12-16(4)22(21)20-14-8-10-18-9-6-7-11-19(18)20/h5-7,9,11-13,15H,4,8,10,14H2,1-3H3/b13-12-,17-5+
InChIKeyHIZZKWNUPSMVAR-OAVBNREASA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

2,4-bis(3,4-dihydro-2H-quinolin-1-yl)pentan-3-one
CID 151944573
(E)-N-(3,4-dihydro-2H-quinolin-1-yl)ethanimine
CID 12023374
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpropan-1-ol
CID 121357629
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
2-(3,4-dihydro-2H-quinolin-1-yl)propanoyl chloride
CID 12730427
2-chloro-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 3271608
N-[4-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817003
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
3,4-dihydro-2H-quinolin-1-ylmethanesulfinate
CID 174943976
2-(3,4-dihydro-2H-quinolin-1-yl)-3-methylbutanoyl chloride
CID 82041996

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline (CID 156877944) is 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline is C=C(/C=C\C(=C/C)C(C)C)S(=O)N1CCCc2ccccc21.
What is the InChIKey of 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline?
The InChIKey is HIZZKWNUPSMVAR-OAVBNREASA-N. The full InChI is InChI=1S/C19H25NOS/c1-5-17(15(2)3)13-12-16(4)22(21)20-14-8-10-18-9-6-7-11-19(18)20/h5-7,9,11-13,15H,4,8,10,14H2,1-3H3/b13-12-,17-5+.
What are the key properties of 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline?
1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline has a molecular weight of 315.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 156877944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).