5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane

C19H27N — CID 168983862

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane
SMILESC=C/C=C\c1c(C)ccc2c1=C(C(C)C)CCN=2.CC
InChIInChI=1S/C17H21N.C2H6/c1-5-6-7-15-13(4)8-9-16-17(15)14(12(2)3)10-11-18-16;1-2/h5-9,12H,1,10-11H2,2-4H3;1-2H3/b7-6-;
InChIKeyPBEBWORXZNBDLP-NAFXZHHSSA-N
MW269.43 g/mol
LogP4.05
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane

5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane (PubChem CID 168983862) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane
PubChem CID168983862
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane
SMILESC=C/C=C\c1c(C)ccc2c1=C(C(C)C)CCN=2.CC
InChIInChI=1S/C17H21N.C2H6/c1-5-6-7-15-13(4)8-9-16-17(15)14(12(2)3)10-11-18-16;1-2/h5-9,12H,1,10-11H2,2-4H3;1-2H3/b7-6-;
InChIKeyPBEBWORXZNBDLP-NAFXZHHSSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane with MolForge

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Related Compounds

CID 101409054
CID 101409054
3-methyl-5-penta-1,3-dienyl-3,4-dihydro-2H-pyrrole
CID 162856209
Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
4-Methyl-2,3-dihydroquinoline
CID 68274032
5-Fluoro-4-methyl-8-propan-2-yl-2,3-dihydroquinoline
CID 144455889
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
2,2,4,6-Tetramethyl-2,3-dihydroquinoline
CID 129865021
1,2,2,4-tetramethyl-3H-quinolin-1-ium
CID 139243634
3-methyl-5-[(1E,3E)-penta-1,3-dienyl]-3,4-dihydro-2H-pyrrole
CID 162856210
2,2,4-trimethyl-3H-quinoline
CID 16695418
2,3,4,4a-Tetrahydroquinoline
CID 20394214
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane (CID 168983862) is 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane is C=C/C=C\c1c(C)ccc2c1=C(C(C)C)CCN=2.CC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane?
The InChIKey is PBEBWORXZNBDLP-NAFXZHHSSA-N. The full InChI is InChI=1S/C17H21N.C2H6/c1-5-6-7-15-13(4)8-9-16-17(15)14(12(2)3)10-11-18-16;1-2/h5-9,12H,1,10-11H2,2-4H3;1-2H3/b7-6-;.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane?
5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane has a molecular weight of 269.43 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-6-methyl-4-propan-2-yl-2,3-dihydroquinoline;ethane is sourced from PubChem (CID 168983862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).