8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline

C23H23N — CID 137484546

IUPAC8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline
SMILESC=C(C)c1cccc(C(C)/C=C\c2ccc3cccnc3c2C)c1
InChIInChI=1S/C23H23N/c1-16(2)21-7-5-8-22(15-21)17(3)10-11-19-12-13-20-9-6-14-24-23(20)18(19)4/h5-15,17H,1H2,2-4H3/b11-10-
InChIKeyGHJWQRHFBLEFAD-KHPPLWFESA-N
MW313.44 g/mol
LogP6.39
Rot. Bonds4

About 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline

8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline (PubChem CID 137484546) has the molecular formula C23H23N and a molecular weight of 313.44 g/mol. Its IUPAC name is 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline.

Molecular Properties

Compound Name8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline
PubChem CID137484546
Molecular FormulaC23H23N
Molecular Weight313.44 g/mol
Exact Mass313.18
IUPAC Name8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline
SMILESC=C(C)c1cccc(C(C)/C=C\c2ccc3cccnc3c2C)c1
InChIInChI=1S/C23H23N/c1-16(2)21-7-5-8-22(15-21)17(3)10-11-19-12-13-20-9-6-14-24-23(20)18(19)4/h5-15,17H,1H2,2-4H3/b11-10-
InChIKeyGHJWQRHFBLEFAD-KHPPLWFESA-N
XLogP6.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-methyl-7-[(Z)-3-(5-triphenylen-2-yl-9,9'-spirobi[fluorene]-3-yl)but-1-enyl]quinoline
CID 129172606
7-ethenyl-8-prop-1-en-2-ylquinoline
CID 144820069
(Z)-2-[(Z)-2-(8-methylquinolin-7-yl)ethenyl]pent-2-en-1-amine
CID 170732949
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
CID 23527697
CID 23527697
8-(2-methylprop-2-enyl)quinoline
CID 142452195
8-(1-bromoethenyl)-7-ethenylquinoline
CID 144820073
3-(8-methylquinolin-7-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-ol
CID 170802104
7,8-dimethylquinoline;ethane
CID 91494918
(2S,3S)-butane-2,3-diamine;1,10-phenanthroline;platinum(2+)
CID 59769200
7-methyl-8-propan-2-ylquinoline
CID 142451043
8-[2-[6-[2-[6-(2-quinolin-8-ylethenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]ethenyl]quinoline
CID 72565631

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline?
The IUPAC name of 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline (CID 137484546) is 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline.
What is the SMILES notation for 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline?
The canonical SMILES for 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline is C=C(C)c1cccc(C(C)/C=C\c2ccc3cccnc3c2C)c1.
What is the InChIKey of 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline?
The InChIKey is GHJWQRHFBLEFAD-KHPPLWFESA-N. The full InChI is InChI=1S/C23H23N/c1-16(2)21-7-5-8-22(15-21)17(3)10-11-19-12-13-20-9-6-14-24-23(20)18(19)4/h5-15,17H,1H2,2-4H3/b11-10-.
What are the key properties of 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline?
8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline has a molecular weight of 313.44 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(Z)-3-(3-prop-1-en-2-ylphenyl)but-1-enyl]quinoline is sourced from PubChem (CID 137484546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).