7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline

C30H28ClN — CID 67017455

IUPAC7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline
SMILESC=C(C)c1ccccc1CC[C@H](C)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C30H28ClN/c1-21(2)29-10-5-4-8-24(29)13-11-22(3)26-9-6-7-23(19-26)12-17-28-18-15-25-14-16-27(31)20-30(25)32-28/h4-10,12,14-20,22H,1,11,13H2,2-3H3/t22-/m0/s1
InChIKeyZOIGLQYQCPHNSB-QFIPXVFZSA-N
MW438.01 g/mol
LogP8.83
Rot. Bonds7

About 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline

7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline (PubChem CID 67017455) has the molecular formula C30H28ClN and a molecular weight of 438.01 g/mol. Its IUPAC name is 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline
PubChem CID67017455
Molecular FormulaC30H28ClN
Molecular Weight438.01 g/mol
Exact Mass437.19
IUPAC Name7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline
SMILESC=C(C)c1ccccc1CC[C@H](C)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIInChI=1S/C30H28ClN/c1-21(2)29-10-5-4-8-24(29)13-11-22(3)26-9-6-7-23(19-26)12-17-28-18-15-25-14-16-27(31)20-30(25)32-28/h4-10,12,14-20,22H,1,11,13H2,2-3H3/t22-/m0/s1
InChIKeyZOIGLQYQCPHNSB-QFIPXVFZSA-N
XLogP8.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.01
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline with MolForge

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Related Compounds

2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-iodopropyl]benzoic acid
CID 69465927
2-[3-acetylsulfanyl-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]benzoic acid
CID 173073909
2-[(3S)-3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-methylsulfonyloxypropyl]benzoic acid
CID 91175692
(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methylphenyl)propane-1-thiol
CID 89010028
2-[3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(1,3-dihydroisoindol-2-yl)propyl]benzoic acid
CID 142768237
1-[2-[(3R)-3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(cyclopropylmethylsulfanyl)propyl]phenyl]ethanone
CID 67149590
2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol
CID 5311297
sodium 1-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[(1-methanidylcyclopropyl)methylsulfanyl]propyl]phenyl]ethanone
CID 58249653
2-[2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-methoxypropyl]phenyl]propan-2-ol
CID 58339727
methyl 2-[2-[(3S)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-hydroxypropyl]phenyl]acetate
CID 89272727
2-[3-(3-carboxyprop-2-enoylamino)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]benzoic acid
CID 142768337
2-[2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]propyl]phenyl]-2-oxoacetic acid
CID 54485791

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline?
The IUPAC name of 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline (CID 67017455) is 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline is C=C(C)c1ccccc1CC[C@H](C)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1.
What is the InChIKey of 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline?
The InChIKey is ZOIGLQYQCPHNSB-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H28ClN/c1-21(2)29-10-5-4-8-24(29)13-11-22(3)26-9-6-7-23(19-26)12-17-28-18-15-25-14-16-27(31)20-30(25)32-28/h4-10,12,14-20,22H,1,11,13H2,2-3H3/t22-/m0/s1.
What are the key properties of 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline?
7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline has a molecular weight of 438.01 g/mol, XLogP of 8.83, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[2-[3-[(2S)-4-(2-prop-1-en-2-ylphenyl)butan-2-yl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 67017455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).