ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane

C25H41N — CID 145327739

IUPACethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane
SMILESC=Cc1c(C)c2c(c3cccnc13)C=CCC2.CC.CC.CC.CCC
InChIInChI=1S/C16H15N.C3H8.3C2H6/c1-3-12-11(2)13-7-4-5-8-14(13)15-9-6-10-17-16(12)15;1-3-2;3*1-2/h3,5-6,8-10H,1,4,7H2,2H3;3H2,1-2H3;3*1-2H3
InChIKeyLNFDOBXSTDWUSP-UHFFFAOYSA-N
MW355.61 g/mol
LogP8.64
Rot. Bonds1

About ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane

ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane (PubChem CID 145327739) has the molecular formula C25H41N and a molecular weight of 355.61 g/mol. Its IUPAC name is ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane.

Molecular Properties

Compound Nameethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane
PubChem CID145327739
Molecular FormulaC25H41N
Molecular Weight355.61 g/mol
Exact Mass355.32
IUPAC Nameethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane
SMILESC=Cc1c(C)c2c(c3cccnc13)C=CCC2.CC.CC.CC.CCC
InChIInChI=1S/C16H15N.C3H8.3C2H6/c1-3-12-11(2)13-7-4-5-8-14(13)15-9-6-10-17-16(12)15;1-3-2;3*1-2/h3,5-6,8-10H,1,4,7H2,2H3;3H2,1-2H3;3*1-2H3
InChIKeyLNFDOBXSTDWUSP-UHFFFAOYSA-N
XLogP8.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
9,10-dimethyl-3,4-dihydrophenanthrene
CID 142416253
ethane;(9E)-10-methylidene-9-[(Z)-pent-2-enylidene]-1,2-dihydrophenanthrene
CID 142106350
6,7-dihydro-[1]benzofuro[3,2-b]pyridine
CID 121426947
7,8-dihydro-[1]benzothiolo[2,3-b]pyridine
CID 152942948
11,12-dihydroimidazo[1,2-f]phenanthridine;methylcyclopropane;prop-1-ene
CID 145347904
5-(iodomethyl)-32-methylnonacyclo[20.12.0.02,15.03,12.04,33.06,11.016,21.025,34.026,31]tetratriaconta-1(22),2(15),3(12),4,6,8,10,13,16,18,20,23,25,27,31,33-hexadecaene
CID 166723682
6-[3-(11,12-dihydrotriphenylen-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 155111528
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
6-methyl-1,2-dihydrotriphenylene
CID 123255484
6-ethenyl-5-ethylquinoline
CID 166703553
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane?
The IUPAC name of ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane (CID 145327739) is ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane.
What is the SMILES notation for ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane?
The canonical SMILES for ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane is C=Cc1c(C)c2c(c3cccnc13)C=CCC2.CC.CC.CC.CCC.
What is the InChIKey of ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane?
The InChIKey is LNFDOBXSTDWUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N.C3H8.3C2H6/c1-3-12-11(2)13-7-4-5-8-14(13)15-9-6-10-17-16(12)15;1-3-2;3*1-2/h3,5-6,8-10H,1,4,7H2,2H3;3H2,1-2H3;3*1-2H3.
What are the key properties of ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane?
ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane has a molecular weight of 355.61 g/mol, XLogP of 8.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethenyl-6-methyl-7,8-dihydrobenzo[f]quinoline;propane is sourced from PubChem (CID 145327739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).